Geometry & MOs

Info

ID:	207301
PubChem CID:	80373900
Reduced:	OC7N7H9 (1)
Stoich.:	AB7C7D9 (1)
Weight, g/mol:	198.07529
ΔH_f, kcal/mol:	87.69
Dipole, Da:	3.03
IP(EA), eV:	-9.62(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1H-1,2,4-triazole-5-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CN(N=C1)CCNC(=O)C2=NNN=N2

DOS

IR

Vibrations