Geometry & MOs

Info

ID:	225750
PubChem CID:	87225859
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	461.220223
ΔH_f, kcal/mol:	-179.06
Dipole, Da:	5.87
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-8-[2-(4-hydroxyphenyl)ethylamino]-2-methyl-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations