Geometry & MOs

Info

ID:	151932
PubChem CID:	56310765
Reduced:	SO2N4C26H32 (1)
Stoich.:	AB2C4D26E32 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-36.77
Dipole, Da:	2.29
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N

DOS

IR

Vibrations