Geometry & MOs

Info

ID:	375425
PubChem CID:	131529625
Reduced:	ION2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	256.98515
ΔH_f, kcal/mol:	-118.35
Dipole, Da:	3.76
IP(EA), eV:	-10.3(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-ethoxy-4-fluorophenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1I)C#N)OC(F)(F)F

DOS

IR

Vibrations