Geometry & MOs

Info

ID:	153259
PubChem CID:	56312428
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	4.5
IP(EA), eV:	-8.47(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

DOS

IR

Vibrations