Geometry & MOs

Info

ID:	398422
PubChem CID:	135033191
Reduced:	BrOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	366.209599
ΔH_f, kcal/mol:	-2.87
Dipole, Da:	3.18
IP(EA), eV:	-9.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(1H-indol-3-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydro-5H-indeno[2,1-b]indole

Drug info:

PubChemData

Smile

C=C(COCC1=CC=CC=C1)C=CCCCBr

DOS

IR

Vibrations