Geometry & MOs

Info

ID:	253502
PubChem CID:	103118860
Reduced:	O4N6C11H18 (1)
Stoich.:	A4B6C11D18 (1)
Weight, g/mol:	255.133139
ΔH_f, kcal/mol:	-136.55
Dipole, Da:	6.27
IP(EA), eV:	-10.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C)N1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations