Geometry & MOs

Info

ID:	399886
PubChem CID:	135043482
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	381.93909
ΔH_f, kcal/mol:	-169.03
Dipole, Da:	2.97
IP(EA), eV:	-9.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene

Drug info:

PubChemData

Smile

C[C@@]1(CCC(=O)O1)[C@@H](CCOCC2=CC=CC=C2)O

DOS

IR

Vibrations