Geometry & MOs

Info

ID:	225763
PubChem CID:	87225966
Reduced:	N2O5C28H40 (1)
Stoich.:	A2B5C28D40 (1)
Weight, g/mol:	504.226037
ΔH_f, kcal/mol:	-159.62
Dipole, Da:	3.74
IP(EA), eV:	-8.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(2-methoxyethylamino)-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]-N-(oxan-2-yloxy)benzamide

Drug info:

PubChemData

Smile

CC(COC)NC/C(=C/CCCCC(=O)NOC1CCCCO1)/COC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations