Geometry & MOs

Info

ID:	253815
PubChem CID:	103120828
Reduced:	ON5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	285.143704
ΔH_f, kcal/mol:	61.34
Dipole, Da:	4.17
IP(EA), eV:	-8.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations