Geometry & MOs

Info

ID:	329058
PubChem CID:	126730850
Reduced:	FN2P2C10O12H15 (1)
Stoich.:	AB2C2D10E12F15 (1)
Weight, g/mol:	665.257946
ΔH_f, kcal/mol:	-702.21
Dipole, Da:	9.17
IP(EA), eV:	-10.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(2,6-dipyridin-2-ylpyridin-4-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)OP(=O)(O)O)F)O)O

DOS

IR

Vibrations