Geometry & MOs

Info

ID:	162016
PubChem CID:	57393341
Reduced:	Cl2N3O3H17C21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	400.074533
ΔH_f, kcal/mol:	13.54
Dipole, Da:	5.66
IP(EA), eV:	-9.66(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one

Drug info:

PubChemData

Smile

CC1(CC2=NN(C(=C2C(=O)C1)C3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations