Geometry & MOs

Info

ID:	81450
PubChem CID:	49854739
Reduced:	ION3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	290.129337
ΔH_f, kcal/mol:	95.4
Dipole, Da:	7.79
IP(EA), eV:	-8.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)/C=C(\C#N)/C2=CNC3=C2C=C(C=C3)OC.[I-]

DOS

IR

Vibrations