Geometry & MOs

Info

ID:	57040
PubChem CID:	22395256
Reduced:	O3C23H37 (1)
Stoich.:	A3B23C37 (1)
Weight, g/mol:	427.284835
ΔH_f, kcal/mol:	-159.02
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.990017
Charge, e:	-1

Chem-info

IUPAC name:

4-hexadecyl-2,3-dihydroxynaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(=O)[O-])O

DOS

IR

Vibrations