Geometry & MOs

Info

ID:	11783
PubChem CID:	120951
Reduced:	ClON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	258.055991
ΔH_f, kcal/mol:	26.75
Dipole, Da:	4.86
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-2H-indazol-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)NN2CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations