Geometry & MOs

Info

ID:	225764
PubChem CID:	87225971
Reduced:	N2O6C29H32 (1)
Stoich.:	A2B6C29D32 (1)
Weight, g/mol:	452.267508
ΔH_f, kcal/mol:	-145.99
Dipole, Da:	1.98
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-8-[(1-ethylpiperidin-4-yl)amino]-2-methyl-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoic acid

Drug info:

PubChemData

Smile

COCCNC(=O)/C(=C/C1=CC=C(C=C1)C(=O)NOC2CCCCO2)/COC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations