Geometry & MOs

Info

ID:	354701
PubChem CID:	127287400
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	6.46
IP(EA), eV:	-9.57(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyanoquinolin-4-yl)-N-(2-methylcyclopentyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC1NC(=O)N2CCC(=O)NCC2

DOS

IR

Vibrations