Geometry & MOs

Info

ID:	252545
PubChem CID:	103112168
Reduced:	F3N3O4C11H16 (1)
Stoich.:	A3B3C4D11E16 (1)
Weight, g/mol:	283.153206
ΔH_f, kcal/mol:	-280.0
Dipole, Da:	3.5
IP(EA), eV:	-9.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-1-(oxan-4-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCOCC(F)(F)F)C(=O)OCCOC

DOS

IR

Vibrations