Geometry & MOs

Info

ID:	321949
PubChem CID:	126667473
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	292.084792
ΔH_f, kcal/mol:	-124.74
Dipole, Da:	1.39
IP(EA), eV:	-9.47(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-cyano-1-methylindol-4-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)N

DOS

IR

Vibrations