Geometry & MOs

Info

ID:	153140
PubChem CID:	56312286
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	3.56
IP(EA), eV:	-8.98(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(ethylcarbamoyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC(C)C3CC4CCC3C4

DOS

IR

Vibrations