Geometry & MOs

Info

ID:	66191
PubChem CID:	46500405
Reduced:	ON2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	264.138839
ΔH_f, kcal/mol:	40.58
Dipole, Da:	2.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984924
Charge, e:	1

Chem-info

IUPAC name:

4-[(E)-2-(3,3-dimethylindol-1-ium-2-yl)ethenyl]phenol

Drug info:

PubChemData

Smile

C[N+]1=C(C=CC2=C1C=C(C=C2)OC)/C=C/C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations