Geometry & MOs

Info

ID:

187151

PubChem CID:

77536667

Reduced:

O4N6C31H46 (1)

Stoich.:

A4B6C31D46 (1)

Weight, g/mol:

450.299476

ΔHf, kcal/mol:

-143.04

Dipole, Da:

3.34

IP(EA), eV:

 -9.01(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl)-N-[2-(6-aminopyridin-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2CC(=O)NC4=NC(=CC=C4)NC(=O)NCCN5CCOCC5)CCC6C3(C=CON6)C

DOS

IR

Vibrations