Geometry & MOs

Info

ID:	78537
PubChem CID:	49693501
Reduced:	ClS2N3O4C15H20 (1)
Stoich.:	AB2C3D4E15F20 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-141.07
Dipole, Da:	5.22
IP(EA), eV:	-9.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,5-dimethylphenyl)acetyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations