Geometry & MOs

Info

ID:	251547
PubChem CID:	103104803
Reduced:	O3N5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-21.34
Dipole, Da:	6.58
IP(EA), eV:	-10.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2C(=C(N=N2)C(=O)OCC)C

DOS

IR

Vibrations