Geometry & MOs

Info

ID:	321928
PubChem CID:	126667397
Reduced:	N2O3H10C17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	360.072177
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	9.85
IP(EA), eV:	-9.88(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyano-1-methyl-2-(trifluoromethyl)indol-7-yl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC(=C2N=C1)C3=CC(=C(C=C3)C(=O)O)O)C#N

DOS

IR

Vibrations