Geometry & MOs

Info

ID:	253932
PubChem CID:	103121665
Reduced:	O3N5C12H21 (1)
Stoich.:	A3B5C12D21 (1)
Weight, g/mol:	260.057926
ΔH_f, kcal/mol:	-96.24
Dipole, Da:	8.91
IP(EA), eV:	-9.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCCN1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations