Geometry & MOs

Info

ID:	131061
PubChem CID:	51149793
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	379.166269
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	6.8
IP(EA), eV:	-9.13(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-acetylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C(=O)C

DOS

IR

Vibrations