Geometry & MOs

Info

ID:	225787
PubChem CID:	87226088
Reduced:	N3O6C35H47 (1)
Stoich.:	A3B6C35D47 (1)
Weight, g/mol:	492.298808
ΔH_f, kcal/mol:	-222.62
Dipole, Da:	4.99
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(C2)NC(=O)/C(=C/CCCCC(=O)NOC3CCCCO3)/COC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations