Geometry & MOs

Info

ID:	283645
PubChem CID:	103995395
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	286.062139
ΔH_f, kcal/mol:	38.17
Dipole, Da:	2.06
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(2-chloropyridin-3-yl)-5-phenyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)N

DOS

IR

Vibrations