Geometry & MOs

Info

ID:	253487
PubChem CID:	103118726
Reduced:	O4N6C9H14 (1)
Stoich.:	A4B6C9D14 (1)
Weight, g/mol:	241.117489
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	6.07
IP(EA), eV:	-10.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetamidoethyl)-5-(2-aminoethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)CN1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations