Geometry & MOs

Info

ID:	89967
PubChem CID:	49965672
Reduced:	N3O9C34H43 (1)
Stoich.:	A3B9C34D43 (1)
Weight, g/mol:	655.398522
ΔH_f, kcal/mol:	-280.06
Dipole, Da:	1.35
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCCN4CCOCC4)OC)/CN(C2)C(=O)O)OCCN5CCOCC5

DOS

IR

Vibrations