Geometry & MOs

Info

ID:	253553
PubChem CID:	103119172
Reduced:	N2O3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	279.119221
ΔH_f, kcal/mol:	-14.57
Dipole, Da:	5.29
IP(EA), eV:	-8.93(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)CC(=O)C3=CC=CO3

DOS

IR

Vibrations