Geometry & MOs

Info

ID:	81727
PubChem CID:	49855058
Reduced:	ON3H13C19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	100.59
Dipole, Da:	6.85
IP(EA), eV:	-8.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-methoxy-1H-indol-3-yl)-3-(4-methylpyridin-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2/C(=C/C3=CC(=CC=C3)C#N)/C#N

DOS

IR

Vibrations