Geometry & MOs

Info

ID:	393037
PubChem CID:	135019050
Reduced:	CoNC4H6 (1)
Stoich.:	ABC4D6 (1)
Weight, g/mol:	590.04304
ΔH_f, kcal/mol:	68.89
Dipole, Da:	5.02
IP(EA), eV:	-9.41(-5.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1-(4-bromophenyl)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

Drug info:

PubChemData

Smile

[CH3-].[CH-]=CC=[N-].[Co+3]

DOS

IR

Vibrations