Geometry & MOs

Info

ID:	340705
PubChem CID:	127262716
Reduced:	NPC25H41 (1)
Stoich.:	ABC25D41 (1)
Weight, g/mol:	509.07693
ΔH_f, kcal/mol:	-34.14
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.880931
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)phenyl]-triphenylphosphanium;iodide

Drug info:

PubChemData

Smile

C1CCC(CC1)[P+](CC2=CC(=CC=C2)N)(C3CCCCC3)C4CCCCC4

DOS

IR

Vibrations