Geometry & MOs

Info

ID:	397089
PubChem CID:	135029710
Reduced:	NO2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100667
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-1H-pyrrolo[3,2-c]carbazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=C3C=CC=CC3=[NH+]2)CC(=O)O

DOS

IR

Vibrations