Geometry & MOs

Info

ID:	48551
PubChem CID:	11108094
Reduced:	ClN2O2H9C13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	260.071641
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	7.39
IP(EA), eV:	-9.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)C(=O)Cl

DOS

IR

Vibrations