Geometry & MOs

Info

ID:	253596
PubChem CID:	103119469
Reduced:	N2O4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	4.93
IP(EA), eV:	-9.53(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)C1=C2C=CC=CN2N=C1)C(=O)C(=O)OC

DOS

IR

Vibrations