Geometry & MOs

Info

ID:	161386
PubChem CID:	57391516
Reduced:	ClN2O2H19C21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	328.134241
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	3.6
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-cyclohexyl-6,7-dihydro-5H-indazol-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C3C(=NN2C4=CC(=CC=C4)OC)CCCC3=O)Cl

DOS

IR

Vibrations