Geometry & MOs

Info

ID:	256223
PubChem CID:	103137845
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	3.7
IP(EA), eV:	-8.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 5-methyl-1-[(5-methyloxolan-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=C2C=NC=CC2=C(C=C1)N)C(C)COC

DOS

IR

Vibrations