Geometry & MOs

Info

ID:	432547
PubChem CID:	135172680
Reduced:	N7C25H33 (1)
Stoich.:	A7B25C33 (1)
Weight, g/mol:	726.226352
ΔH_f, kcal/mol:	103.95
Dipole, Da:	5.75
IP(EA), eV:	-8.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[difluoro-[3-fluoro-4-(5,5,5-trifluoropentyl)phenyl]methoxy]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

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(C1=CN=C(N=C1)CC2CCN(CC2)C(=C)C=C)NC3=NC=CC(=N3)N4CCCC4=C

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(C1=CN=C(N=C1)CC2CCN(CC2)C(=C)C=C)NC3=NC=CC(=N3)N4CCCC4=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):