Geometry & MOs

Info

ID:	15990
PubChem CID:	457385
Reduced:	PN4H22C23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	385.158209
ΔH_f, kcal/mol:	111.68
Dipole, Da:	6.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.946609
Charge, e:	1

Chem-info

IUPAC name:

(2,4-diaminopyrimidin-5-yl)methyl-triphenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CC2=CN=C(N=C2N)N)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations