Geometry & MOs

Info

ID:	252426
PubChem CID:	103111288
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	281.148789
ΔH_f, kcal/mol:	-54.14
Dipole, Da:	3.97
IP(EA), eV:	-10.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)N1C(=C(N=N1)C(=O)OCC)CN

DOS

IR

Vibrations