Geometry & MOs

Info

ID:	152938
PubChem CID:	56312033
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	488.222369
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	7.53
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC(C)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations