Geometry & MOs

Info

ID:	147831
PubChem CID:	53787489
Reduced:	SO6N7C37H55 (1)
Stoich.:	AB6C7D37E55 (1)
Weight, g/mol:	401.199094
ΔH_f, kcal/mol:	-214.76
Dipole, Da:	8.93
IP(EA), eV:	-8.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]methanol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H](C)[C@@H](C(=O)CN(C1=CC=CC=N1)C(=O)[C@](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)N)O)(C(C)C)S(=O)(=O)C3=CC=C(C=C3)C)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H](C)[C@@H](C(=O)CN(C1=CC=CC=N1)C(=O)[C@](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)N)O)(C(C)C)S(=O)(=O)C3=CC=C(C=C3)C)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):