Geometry & MOs

Info

ID:	401982
PubChem CID:	135053694
Reduced:	NO4H21C25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	-76.57
Dipole, Da:	1.76
IP(EA), eV:	-8.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9aS)-6-chloro-4a-methyl-3,4,9,9a-tetrahydro-1H-carbazol-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CN(C2=C1C=CC(=C2)C(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations