Geometry & MOs

Info

ID:	194206
PubChem CID:	78497207
Reduced:	SN2F3O3C14H17 (1)
Stoich.:	AB2C3D3E14F17 (1)
Weight, g/mol:	281.085207
ΔH_f, kcal/mol:	-263.4
Dipole, Da:	3.63
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CSC2NC(CC(=O)N2)C(F)(F)F)OC

DOS

IR

Vibrations