Geometry & MOs

Info

ID:	158461
PubChem CID:	56463703
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	414.241962
ΔH_f, kcal/mol:	-93.76
Dipole, Da:	3.45
IP(EA), eV:	-8.22(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC(=C1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3)NC(=O)C

DOS

IR

Vibrations