Geometry & MOs

Info

ID:

190077

PubChem CID:

77950685

Reduced:

O3N4C32H38 (1)

Stoich.:

A3B4C32D38 (1)

Weight, g/mol:

610.363139

ΔHf, kcal/mol:

-72.55

Dipole, Da:

6.68

IP(EA), eV:

 -8.69(-0.27)

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-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC(=O)C2=CN=C(C=C2)N3CCCC4C3CC(C4)NC(=O)C5=C(C(=CC=C5)OC)C

DOS

IR

Vibrations