Geometry & MOs

Info

ID:	220229
PubChem CID:	85176930
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-127.54
Dipole, Da:	6.35
IP(EA), eV:	-9.95(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl)triazole

Drug info:

PubChemData

Smile

CCOC(=O)C1N2C(CC=CCO1)CC2=O

DOS

IR

Vibrations