Geometry & MOs

Info

ID:	246993
PubChem CID:	103066150
Reduced:	ClNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	277.95093
ΔH_f, kcal/mol:	2.17
Dipole, Da:	5.17
IP(EA), eV:	-9.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[2-(chloromethyl)prop-2-enoxy]-1-fluorobenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=C)CCl)C)C#N

DOS

IR

Vibrations