Geometry & MOs

Info

ID:	178495
PubChem CID:	76336460
Reduced:	NO2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	350.051441
ΔH_f, kcal/mol:	-35.2
Dipole, Da:	9.06
IP(EA), eV:	-9.64(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitro-4-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C3C=C(NC3=C(C=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations