Geometry & MOs

Info

ID:	66184
PubChem CID:	46500392
Reduced:	NOC21H24 (1)
Stoich.:	ABC21D24 (1)
Weight, g/mol:	364.191269
ΔH_f, kcal/mol:	12.76
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.314134
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-[(E)-2-(5-ethoxy-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)[N+](=C(C2(C)C)/C=C/C3=CC=CC=C3)C

DOS

IR

Vibrations