Geometry & MOs

Info

ID:	161173
PubChem CID:	57390954
Reduced:	OCl2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	278.053886
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	8.31
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-carboxyethyl)-5-nitro-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=NC2=CC(=C(C=C2N1)Cl)Cl)NC(=O)CCN3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations