Geometry & MOs

Info

ID:	253566
PubChem CID:	103119284
Reduced:	O3N6C8H10 (1)
Stoich.:	A3B6C8D10 (1)
Weight, g/mol:	295.102902
ΔH_f, kcal/mol:	1.82
Dipole, Da:	5.55
IP(EA), eV:	-10.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=NOC(=N1)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations