Geometry & MOs

Info

ID:	318126
PubChem CID:	126649061
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	306.100442
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	6.58
IP(EA), eV:	-8.69(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-cyano-1-methylindol-4-yl)-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=C(C=C2OC(=O)C3=CC=CC=C3OC)C#N

DOS

IR

Vibrations