Geometry & MOs

Info

ID:	151920
PubChem CID:	56310746
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	7.33
IP(EA), eV:	-9.22(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations