Geometry & MOs

Info

ID:	180542
PubChem CID:	76651049
Reduced:	FO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	398.284775
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	1.43
IP(EA), eV:	-10.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-cyclopentylethenyl)-3-(2-cyclopentylethyl)-1-prop-2-enyl-1H-benzo[e]indol-3-ium

Drug info:

PubChemData

Smile

CC(=O)C(C)(C(=O)C1=CC=CC=C1)F

DOS

IR

Vibrations