Geometry & MOs

Info

ID:	313630
PubChem CID:	126616755
Reduced:	ClN3O3C27H30 (1)
Stoich.:	AB3C3D27E30 (1)
Weight, g/mol:	568.071437
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	5.03
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bis(4-chlorophenyl)methyl]-3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-1H-indazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C3=C2C=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C5CC5

DOS

IR

Vibrations