Geometry & MOs

Info

ID:	29932
PubChem CID:	838311
Reduced:	BrNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	233.060742
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	4.05
IP(EA), eV:	-8.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-2,3,4,9-tetrahydrocarbazol-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CCBr

DOS

IR

Vibrations