Geometry & MOs

Info

ID:	151935
PubChem CID:	56310768
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	498.263091
ΔH_f, kcal/mol:	-58.98
Dipole, Da:	2.05
IP(EA), eV:	-9.16(-0.23)
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-(1-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations