Geometry & MOs

Info

ID:	390496
PubChem CID:	134999431
Reduced:	BrCoP3F7C16H30 (1)
Stoich.:	ABC3D7E16F30 (1)
Weight, g/mol:	234.104465
ΔH_f, kcal/mol:	-491.98
Dipole, Da:	2.84
IP(EA), eV:	-7.92(-5.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-(3-phenylbut-3-en-1-ynyl)benzene

Drug info:

PubChemData

Smile

C[PH+](C)C.C[PH+](C)C.C[PH+](C)C.[C-]1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F.[Co+]Br

DOS

IR

Vibrations