Geometry & MOs

Info

ID:	57626
PubChem CID:	22426946
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-108.56
Dipole, Da:	3.69
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(pyridin-2-ylmethyl)butanediamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=O

DOS

IR

Vibrations