Geometry & MOs

Info

ID:	253419
PubChem CID:	103118332
Reduced:	O3N4C11H20 (1)
Stoich.:	A3B4C11D20 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	5.36
IP(EA), eV:	-9.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CCN1C(=C(N=N1)C(=O)OC)CCN)O

DOS

IR

Vibrations