Geometry & MOs

Info

ID:	372802
PubChem CID:	131305052
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	200.058578
ΔH_f, kcal/mol:	-140.98
Dipole, Da:	1.45
IP(EA), eV:	-9.21(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethyl)-1H-indole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C1=C(C=C(C=C1O)O)O)N

DOS

IR

Vibrations