Geometry & MOs

Info

ID:	81452
PubChem CID:	49854742
Reduced:	ON3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	293.09644
ΔH_f, kcal/mol:	79.77
Dipole, Da:	3.85
IP(EA), eV:	-8.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(6-fluoropyridin-3-yl)-2-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=CN2)/C(=C/C3=CN=CC=C3)/C#N

DOS

IR

Vibrations