Geometry & MOs

Info

ID:	397987
PubChem CID:	135031282
Reduced:	OH30C35 (1)
Stoich.:	AB30C35 (1)
Weight, g/mol:	472.167459
ΔH_f, kcal/mol:	120.52
Dipole, Da:	3.16
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-dioxo-1-[2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenylbutan-2-yl]benzaldehyde

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2C4(C5C6CC(C5C3(C7=CC=CC=C74)C(=O)C8=CC=CC=C8)C=C6)C9=CC=CC=C9

DOS

IR

Vibrations