Geometry & MOs

Info

ID:	244557
PubChem CID:	99364970
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	3.22
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetyl-N-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CC(=NN1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations