Geometry & MOs

Info

ID:	225751
PubChem CID:	87225866
Reduced:	NO5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	385.225308
ΔH_f, kcal/mol:	-169.52
Dipole, Da:	5.38
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[(2-methoxyethylamino)methyl]-2-methyl-8-naphthalen-1-yloxyoct-6-enoic acid

Drug info:

PubChemData

Smile

CC(CCC/C=C(\COC1=CC=CC2=CC=CC=C21)/C(=O)NCCC3=CC=C(C=C3)O)C(=O)O

DOS

IR

Vibrations