Geometry & MOs

Info

ID:	312844
PubChem CID:	126609134
Reduced:	O4F17C33H51 (1)
Stoich.:	A4B17C33D51 (1)
Weight, g/mol:	402.159295
ΔH_f, kcal/mol:	-1095.09
Dipole, Da:	3.71
IP(EA), eV:	-10.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4,6-bis(2-phenylpyrimidin-5-yl)pyrimidine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(COCCOC)COCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations