Geometry & MOs

Info

ID:	159784
PubChem CID:	57288746
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	246.052823
ΔH_f, kcal/mol:	-157.59
Dipole, Da:	4.19
IP(EA), eV:	-8.81(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[carboxy(hydroxy)methyl]naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=CC=C1OCCCCC2=C(C(=CC=C2)O)O)O

DOS

IR

Vibrations