Geometry & MOs

Info

ID:	396182
PubChem CID:	135027645
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	587.14197
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	3.71
IP(EA), eV:	-9.44(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (E)-3-[4-bromo-3-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]-2-(piperidin-1-yldiazenyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C=C1[C@H](C2=CC=CC=C2OC1=O)CC(=O)C3=CC=CO3

DOS

IR

Vibrations