Geometry & MOs

Info

ID:

435960

PubChem CID:

135193032

Reduced:

O2P2N3H41C54 (1)

Stoich.:

A2B2C3D41E54 (1)

Weight, g/mol:

827.283052

ΔHf, kcal/mol:

108.68

Dipole, Da:

1.23

IP(EA), eV:

 -8.22(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-[[3-(2-methylpyrimidin-5-yl)phenyl]-phenylphosphoryl]phenyl]methyl]phenyl]-phenylphosphoryl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC(=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4CC5=CC=CC=C5P(=O)(C6=CC=CC=C6)C7=CC=CC(=C7)N8C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations