Geometry & MOs

Info

ID:	27976
PubChem CID:	824494
Reduced:	ClNOSC19H20 (1)
Stoich.:	ABCDE19F20 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	2.85
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-methoxy-2-(3-methoxyphenyl)-2-methyl-1,3,4,9-tetrahydrocarbazole

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations