Geometry & MOs

Info

ID:	54173
PubChem CID:	14742700
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	5.59
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-methoxynaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CCCCC(=O)O

DOS

IR

Vibrations