Geometry & MOs

Info

ID:	342494
PubChem CID:	127265649
Reduced:	FNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	339.090686
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	4.47
IP(EA), eV:	-9.04(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC(=O)C(C1CCN(CC1)CC=CC2=CC=C(C=C2)F)O

DOS

IR

Vibrations