Geometry & MOs

Info

ID:	89969
PubChem CID:	49965678
Reduced:	N3O5C35H51 (1)
Stoich.:	A3B5C35D51 (1)
Weight, g/mol:	607.398522
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	4.78
IP(EA), eV:	-8.36(-0.56)
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-propylpiperidin-4-one

Drug info:

PubChemData

Smile

CCN1C/C(=C\C2=CC(=C(C=C2)OCCN(CC)CC)OC)/C(=O)/C(=C/C3=CC(=C(C=C3)OCCN(CC)CC)OC)/C1

DOS

IR

Vibrations