Geometry & MOs

Info

ID:	27634
PubChem CID:	822724
Reduced:	ClNO2H14C18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	249.055656
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	2.76
IP(EA), eV:	-9.16(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations