Geometry & MOs

Info

ID:	178418
PubChem CID:	76326283
Reduced:	BrCl2O2N4H23C34 (1)
Stoich.:	AB2C2D4E23F34 (1)
Weight, g/mol:	468.365166
ΔH_f, kcal/mol:	70.39
Dipole, Da:	6.5
IP(EA), eV:	-8.67(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)methyl-dimethyl-octadecylphosphanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=C(C=C4)NC=C5C=CC(=O)C=C5)NC6=C(C=CC=C6Cl)Cl

DOS

IR

Vibrations