Geometry & MOs

Info

ID:	251650
PubChem CID:	103105668
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	6.51
IP(EA), eV:	-10.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[1-(methylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)CN2C(=C(N=N2)C(=O)OC)CC

DOS

IR

Vibrations