Geometry & MOs

Info

ID:	150071
PubChem CID:	53789757
Reduced:	O5C14H28 (1)
Stoich.:	A5B14C28 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-264.81
Dipole, Da:	1.88
IP(EA), eV:	-9.79(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

COCCOCOCCCCCCCCCC(=O)O

DOS

IR

Vibrations