Geometry & MOs

Info

ID:	325930
PubChem CID:	126685636
Reduced:	F2N2O3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	725.376999
ΔH_f, kcal/mol:	-136.08
Dipole, Da:	2.77
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-tert-butylphenyl)-6-[4-[4-[6-(3-tert-butylphenyl)-4-phenylpyridin-2-yl]phenyl]phenyl]-2-phenylpyrimidine

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1F)F)C(=O)N2CCC(=N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations