Geometry & MOs

Info

ID:	215974
PubChem CID:	85085527
Reduced:	C15H26 (1)
Stoich.:	A15B26 (1)
Weight, g/mol:	207.064391
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	0.48
IP(EA), eV:	-9.1(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-oxo-1,5-dihydrobenzotriazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=C1CCCCC1

DOS

IR

Vibrations