Geometry & MOs

Info

ID:	57054
PubChem CID:	22395274
Reduced:	O4C20H25 (1)
Stoich.:	A4B20C25 (1)
Weight, g/mol:	271.133419
ΔH_f, kcal/mol:	-155.8
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.390512
Charge, e:	-1

Chem-info

IUPAC name:

3-hexyl-2-hydroxynaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])O)O

DOS

IR

Vibrations