Geometry & MOs

Info

ID:	251935
PubChem CID:	103107948
Reduced:	ON3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	20.16
Dipole, Da:	3.04
IP(EA), eV:	-10.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)CN2C=C(N=N2)C(=O)OC

DOS

IR

Vibrations