Geometry & MOs

Info

ID:	78505
PubChem CID:	49693431
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	2.48
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations