Geometry & MOs

Info

ID:	253501
PubChem CID:	103118836
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	298.138953
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	7.18
IP(EA), eV:	-9.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CN2C(=C(N=N2)C(=O)O)CCN)O

DOS

IR

Vibrations