Geometry & MOs

Info

ID:	251550
PubChem CID:	103104830
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	255.096754
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	4.99
IP(EA), eV:	-10.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCN1C(=C(N=N1)C(=O)OCC)C

DOS

IR

Vibrations