Geometry & MOs

Info

ID:	227034
PubChem CID:	87559826
Reduced:	PN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	258.219495
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	6.09
IP(EA), eV:	-9.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-11-hydroxyundecanoic acid

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)P=O

DOS

IR

Vibrations