Geometry & MOs

Info

ID:	391724
PubChem CID:	135008949
Reduced:	ON2C27H30 (1)
Stoich.:	AB2C27D30 (1)
Weight, g/mol:	230.154489
ΔH_f, kcal/mol:	36.94
Dipole, Da:	2.11
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1-ethoxyethylidene)-1-ethyl-2-methylindol-1-ium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](C2CC3CCN2CC3C=C)C4=C5C=C(C=CC5=NC=C4)OC

DOS

IR

Vibrations