Geometry & MOs

Info

ID:	81449
PubChem CID:	49854738
Reduced:	N3H13C16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	417.03381
ΔH_f, kcal/mol:	97.49
Dipole, Da:	3.55
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-methoxy-1H-indol-3-yl)-3-(1-methylpyridin-1-ium-3-yl)prop-2-enenitrile;iodide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(CC3=CN=CC=C3)C#N

DOS

IR

Vibrations