Geometry & MOs

Info

ID:	425434
PubChem CID:	135126311
Reduced:	BrFINH4C7 (1)
Stoich.:	ABCDE4F7 (1)
Weight, g/mol:	211.001176
ΔH_f, kcal/mol:	22.75
Dipole, Da:	1.99
IP(EA), eV:	-9.56(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-4-fluoropyridin-2-yl)-2,2-difluoroethanol

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)/C(=C/I)/F

DOS

IR

Vibrations