Geometry & MOs

Info

ID:	397698
PubChem CID:	135030589
Reduced:	NOC19H20 (2)
Stoich.:	ABC19D20 (2)
Weight, g/mol:	632.340279
ΔH_f, kcal/mol:	34.14
Dipole, Da:	3.45
IP(EA), eV:	-8.93(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-benzyl-N-[[3-[[benzyl-[(1R)-1-phenyl-2-prop-2-ynoxyethyl]amino]methyl]phenyl]methyl]-1-phenyl-2-prop-2-ynoxyethanamine

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

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)CN(CC3=CC=CC=C3)[C@@H](CO)C4=CC=CC=C4)[C@@H](CO)C5=CC=CC=C5

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

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)CN(CC3=CC=CC=C3)[C@@H](CO)C4=CC=CC=C4)[C@@H](CO)C5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):