Geometry & MOs

Info

ID:	153152
PubChem CID:	56312299
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-154.1
Dipole, Da:	5.25
IP(EA), eV:	-8.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-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(C(=C(S3)C)C)C(=O)OC

DOS

IR

Vibrations