Geometry & MOs

Info

ID:	372170
PubChem CID:	131294081
Reduced:	N2O2H8C11 (1)
Stoich.:	A2B2C8D11 (1)
Weight, g/mol:	200.058578
ΔH_f, kcal/mol:	32.27
Dipole, Da:	6.46
IP(EA), eV:	-9.5(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethyl)-1H-indole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)C2=CC(=NO2)C#N

DOS

IR

Vibrations