Geometry & MOs

Info

ID:	251788
PubChem CID:	103106940
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	4.89
IP(EA), eV:	-8.23(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(C)C1=C(C=CC(=C1)OC)OC

DOS

IR

Vibrations