Geometry & MOs

Info

ID:	398507
PubChem CID:	135033561
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-51.04
Dipole, Da:	4.15
IP(EA), eV:	-9.48(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxy-2-methylanilino)naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCC=C2C3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations