Geometry & MOs

Info

ID:	64507
PubChem CID:	29202144
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	3.99
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)C)NC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations