Geometry & MOs

Info

ID:	89968
PubChem CID:	49965677
Reduced:	N3O5C40H53 (1)
Stoich.:	A3B5C40D53 (1)
Weight, g/mol:	593.382872
ΔH_f, kcal/mol:	-110.13
Dipole, Da:	4.78
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylidene]-1-ethylpiperidin-4-one

Drug info:

PubChemData

Smile

CCN(CCOC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCCN(CC)CC)OC)/CN(C2)CC4=CC=CC=C4)OC)CC

DOS

IR

Vibrations