Geometry & MOs

Info

ID:	359327
PubChem CID:	127298374
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-60.69
Dipole, Da:	6.48
IP(EA), eV:	-8.88(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carbonyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CC(=O)N2CCN(CC2)C)N3C=CC=N3

DOS

IR

Vibrations