Geometry & MOs

Info

ID:	190075
PubChem CID:	77950122
Reduced:	O2H14C15 (1)
Stoich.:	A2B14C15 (1)
Weight, g/mol:	517.30529
ΔH_f, kcal/mol:	-31.46
Dipole, Da:	0.34
IP(EA), eV:	-9.46(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(5-acetylpyridin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-2-(cyclohexylamino)-5-methylbenzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC=C(C)C1=C(C(=O)C2=CC=CC=C2C1=O)C

DOS

IR

Vibrations