Geometry & MOs

Info

ID:	151800
PubChem CID:	56310609
Reduced:	OF3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	-86.19
Dipole, Da:	2.18
IP(EA), eV:	-9.4(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=NN3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations