Geometry & MOs

Info

ID:	321970
PubChem CID:	126667587
Reduced:	NH43C54 (1)
Stoich.:	AB43C54 (1)
Weight, g/mol:	360.072177
ΔH_f, kcal/mol:	216.41
Dipole, Da:	0.56
IP(EA), eV:	-7.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-cyano-1-methyl-2-(trifluoromethyl)indol-4-yl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=CC=C(C=C2)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)/C=C/C8=CC=CC=C8

DOS

IR

Vibrations