Geometry & MOs

Info

ID:	253906
PubChem CID:	103121433
Reduced:	SN4O4C8H14 (1)
Stoich.:	AB4C4D8E14 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	7.69
IP(EA), eV:	-10.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(cyclopentylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCN1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations