Geometry & MOs

Info

ID:	325185
PubChem CID:	126681831
Reduced:	O5H7C9F9 (1)
Stoich.:	A5B7C9D9 (1)
Weight, g/mol:	715.273596
ΔH_f, kcal/mol:	-678.31
Dipole, Da:	1.8
IP(EA), eV:	-11.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1C(OC(=O)O1)COC(C(C(F)(F)F)(OCC(F)(F)F)F)(F)F

DOS

IR

Vibrations