Geometry & MOs

Info

ID:	312213
PubChem CID:	126603607
Reduced:	OSF3N4H17C20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	481.122496
ΔH_f, kcal/mol:	-97.04
Dipole, Da:	3.93
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(trifluoromethoxy)phenyl]-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol

Drug info:

PubChemData

Smile

CC1C(N=CS1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations