Geometry & MOs

Info

ID:	24871
PubChem CID:	614170
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	224.094963
ΔH_f, kcal/mol:	31.51
Dipole, Da:	5.35
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-2H-indazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)N2

DOS

IR

Vibrations