Geometry & MOs

Info

ID:	161042
PubChem CID:	57390603
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	494.105165
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	3.79
IP(EA), eV:	-9.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,4E)-1-(2,4-dichlorophenyl)-5-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=CN=CC(=C3)C#N

DOS

IR

Vibrations