Geometry & MOs

Info

ID:	175695
PubChem CID:	75938319
Reduced:	O3N4C25H42 (1)
Stoich.:	A3B4C25D42 (1)
Weight, g/mol:	470.208469
ΔH_f, kcal/mol:	-193.04
Dipole, Da:	5.93
IP(EA), eV:	-8.63(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-methyl-1-oxo-1-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC3CCN(CC3)CC4CCCCC4)(C)C

DOS

IR

Vibrations