Geometry & MOs

Info

ID:	173208
PubChem CID:	75611562
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	251.087018
ΔH_f, kcal/mol:	-50.88
Dipole, Da:	7.59
IP(EA), eV:	-9.01(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2,3-difluorophenyl)-3-methyloxiran-2-yl]methyl]triazole

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2CC(C(C(=O)N2)C#N)C3=CC=C(C=C3)OC

DOS

IR

Vibrations