Geometry & MOs

Info

ID:	152939
PubChem CID:	56312034
Reduced:	FO3N4C28H29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	484.247441
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	5.97
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-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)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations