Geometry & MOs

Info

ID:	251712
PubChem CID:	103106223
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-90.41
Dipole, Da:	5.24
IP(EA), eV:	-9.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1C2CCN(C2=O)C)C(=O)OCC

DOS

IR

Vibrations