Geometry & MOs

Info

ID:	27288
PubChem CID:	820277
Reduced:	OF2N3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	237.071368
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	0.44
IP(EA), eV:	-10.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

C1[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations