Geometry & MOs

Info

ID:	30547
PubChem CID:	841478
Reduced:	ON3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	305.116427
ΔH_f, kcal/mol:	50.54
Dipole, Da:	5.51
IP(EA), eV:	-8.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-1-methylindol-2-yl)methylamino]benzoic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1CNC3=CC=C(C=C3)O)C#N

DOS

IR

Vibrations