Geometry & MOs

Info

ID:	352601
PubChem CID:	127283690
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-23.32
Dipole, Da:	1.48
IP(EA), eV:	-8.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-1-carbonyl)-N-quinolin-6-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CCN(CC3)CC4=C(ON=C4C)C

DOS

IR

Vibrations