Geometry & MOs

Info

ID:	152816
PubChem CID:	56311890
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-140.23
Dipole, Da:	6.16
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations