Geometry & MOs

Info

ID:	410123
PubChem CID:	135082912
Reduced:	BrPO2H22C27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	540.159573
ΔH_f, kcal/mol:	17.85
Dipole, Da:	3.11
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohepta-1,3,6-trien-1-ylmethyl(triphenyl)phosphanium;ditetrafluoroborate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C(=O)O)/P(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations