Geometry & MOs

Info

ID:	225747
PubChem CID:	87225829
Reduced:	N3O4C36H45 (1)
Stoich.:	A3B4C36D45 (1)
Weight, g/mol:	577.351572
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	3.63
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-cyclopentylpiperidin-4-yl)-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(CC2)NC/C(=C\C3=CC=C(C=C3)C(=O)NOC4CCCCO4)/COC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations