Geometry & MOs

Info

ID:	340723
PubChem CID:	127262734
Reduced:	NPC27H27 (1)
Stoich.:	ABC27D27 (1)
Weight, g/mol:	475.10645
ΔH_f, kcal/mol:	102.7
Dipole, Da:	8.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954822
Charge, e:	0

Chem-info

IUPAC name:

benzyl-[4-(dimethylamino)phenyl]-diphenylphosphanium;bromide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations