Geometry & MOs

Info

ID:	12133
PubChem CID:	131187
Reduced:	BrPC29H38 (1)
Stoich.:	ABC29D38 (1)
Weight, g/mol:	496.18945
ΔH_f, kcal/mol:	-34.13
Dipole, Da:	13.93
IP(EA), eV:	-7.42(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tributyl(pyren-4-ylmethyl)phosphanium;bromide

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3.[Br-]

DOS

IR

Vibrations