Geometry & MOs

Info

ID:	27287
PubChem CID:	820276
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	237.071368
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	2.24
IP(EA), eV:	-9.47(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CCC1=CC=CC=C1)N

DOS

IR

Vibrations