Geometry & MOs

Info

ID:	252754
PubChem CID:	103113865
Reduced:	ON3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	2.7
Dipole, Da:	1.59
IP(EA), eV:	-10.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-methylmorpholin-2-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=NC=NN2CC)C(=O)OC

DOS

IR

Vibrations