Geometry & MOs

Info

ID:	391395
PubChem CID:	135004711
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	262.996091
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	8.35
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CCC)CC1(CC2=C(O1)C=CC(=C2)[N+](=O)[O-])C

DOS

IR

Vibrations