Geometry & MOs

Info

ID:

190076

PubChem CID:

77950684

Reduced:

O3N5C30H39 (1)

Stoich.:

A3B5C30D39 (1)

Weight, g/mol:

526.294391

ΔHf, kcal/mol:

-114.71

Dipole, Da:

5.11

IP(EA), eV:

 -8.46(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(1-phenylpropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)NC2CC3CCCN(C3C2)C4=NC=C(C=C4)C(=O)C)NC5CCCCC5)C(=O)N

DOS

IR

Vibrations