Geometry & MOs

Info

ID:	384485
PubChem CID:	134977071
Reduced:	BrPC18H24 (1)
Stoich.:	ABC18D24 (1)
Weight, g/mol:	556.144887
ΔH_f, kcal/mol:	5.66
Dipole, Da:	5.44
IP(EA), eV:	-8.39(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(Z)-4-(4-methylphenyl)but-3-enyl]-triphenyl-lambda5-phosphanyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)P(C1=CC=CC=C1)(C2=CC=CC=C2)(C(C)C)Br

DOS

IR

Vibrations