Geometry & MOs

Info

ID:	151823
PubChem CID:	56310636
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	470.231791
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	6.9
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations