Geometry & MOs

Info

ID:	254020
PubChem CID:	103122255
Reduced:	O3N4C8H14 (1)
Stoich.:	A3B4C8D14 (1)
Weight, g/mol:	298.109962
ΔH_f, kcal/mol:	-92.24
Dipole, Da:	5.0
IP(EA), eV:	-10.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(C)O)N1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations