Geometry & MOs

Info

ID:	425106
PubChem CID:	135125180
Reduced:	ClON3F4H14C19 (1)
Stoich.:	ABC3D4E14F19 (1)
Weight, g/mol:	190.055384
ΔH_f, kcal/mol:	-130.23
Dipole, Da:	4.63
IP(EA), eV:	-9.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]1OC(=N[C@@]2(C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)Cl)\F)F)C(F)F)N

DOS

IR

Vibrations