Geometry & MOs

Info

ID:	372471
PubChem CID:	131298220
Reduced:	FIO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	278.95066
ΔH_f, kcal/mol:	-142.62
Dipole, Da:	1.63
IP(EA), eV:	-9.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-5-(difluoromethoxy)-2-fluorophenyl]acetonitrile

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C=C(C=C1I)O)F

DOS

IR

Vibrations