Geometry & MOs

Info

ID:	251651
PubChem CID:	103105673
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	2.17
IP(EA), eV:	-10.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[3-(oxolan-2-yl)propyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C(C)C(=O)NC)C(=O)OC

DOS

IR

Vibrations