Geometry & MOs

Info

ID:	390577
PubChem CID:	134999802
Reduced:	SN2O2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	8.18
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-(3,4-dimethylpentanoyl)-5,5-dimethylpyrazolidin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC(=NC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations