Geometry & MOs

Info

ID:	139274
PubChem CID:	52501711
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-39.66
Dipole, Da:	6.85
IP(EA), eV:	-9.2(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-benzyl-5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)NC(=O)[C@@H]2CC(=O)N(C2)CC3=CC=CC=C3

DOS

IR

Vibrations