Geometry & MOs

Info

ID:	372524
PubChem CID:	131299176
Reduced:	N2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	244.986669
ΔH_f, kcal/mol:	86.9
Dipole, Da:	5.72
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-6-fluoro-3-(trifluoromethoxy)pyridin-4-yl]methanol

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)CN)N=C1C#N

DOS

IR

Vibrations