Geometry & MOs

Info

ID:	251666
PubChem CID:	103105797
Reduced:	FN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	295.113233
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	4.95
IP(EA), eV:	-9.38(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,2-difluoro-2-phenylethyl)-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=C(C(=CC=C2)OC)F)C(=O)OC

DOS

IR

Vibrations