Geometry & MOs

Info

ID:

319023

PubChem CID:

126654184

Reduced:

O3N5C25H29 (1)

Stoich.:

A3B5C25D29 (1)

Weight, g/mol:

603.357326

ΔHf, kcal/mol:

-39.58

Dipole, Da:

2.93

IP(EA), eV:

 -8.67(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-(3,4-dimethylphenyl)-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCC[C@@H]3OCC4=CC=C(C=C4)CCC=O

DOS

IR

Vibrations