Geometry & MOs

Info

ID:	441206
PubChem CID:	135233614
Reduced:	OSC10H14 (1)
Stoich.:	ABC10D14 (1)
Weight, g/mol:	446.89809
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	2.21
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diiodo-9-methyl-8H-cyclohepta[b]indole

Drug info:

PubChemData

Smile

CCCOCC1=CC=C(S1)C=C

DOS

IR

Vibrations