Geometry & MOs

Info

ID:	435959
PubChem CID:	135193024
Reduced:	ClFN4H10C14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	825.267402
ΔH_f, kcal/mol:	60.1
Dipole, Da:	4.33
IP(EA), eV:	-9.29(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-[[2-[[2-[[3-(2-methylpyrimidin-5-yl)phenyl]-phenylphosphoryl]phenyl]methyl]phenyl]-phenylphosphoryl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1CC1N2C3=CC(=C(C=C3N=C2C4=CN=CN=C4)Cl)F

DOS

IR

Vibrations