Geometry & MOs

Info

ID:	253580
PubChem CID:	103119382
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-33.53
Dipole, Da:	6.58
IP(EA), eV:	-9.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC(=O)C(C1)C(=O)C2=C3C=CC=CN3N=C2)C

DOS

IR

Vibrations