Geometry & MOs

Info

ID:	189068
PubChem CID:	77812073
Reduced:	O2N3C23H39 (1)
Stoich.:	A2B3C23D39 (1)
Weight, g/mol:	730.350569
ΔH_f, kcal/mol:	-125.52
Dipole, Da:	5.64
IP(EA), eV:	-8.67(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-7-[1-(2,4-dimethoxyphenyl)butylidene]-1,8-bis(4-prop-2-enoxyphenyl)oct-2-ene-1,8-dione

Drug info:

PubChemData

Smile

CC1C2C(C(NC2CC3C1NC4C3CCCC4)C(=O)OC5CCN(CC5)C)C

DOS

IR

Vibrations