Geometry & MOs

Info

ID:

317597

PubChem CID:

126644294

Reduced:

N3O4C27H29 (1)

Stoich.:

A3B4C27D29 (1)

Weight, g/mol:

580.316189

ΔHf, kcal/mol:

-115.51

Dipole, Da:

6.29

IP(EA), eV:

 -8.97(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CO[C@H]2CCC[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=CC(=CC=C4)C(=O)O)N)C

DOS

IR

Vibrations