Geometry & MOs

Info

ID:	432901
PubChem CID:	135173038
Reduced:	IO2F3N3H5C12 (1)
Stoich.:	AB2C3D3E5F12 (1)
Weight, g/mol:	625.251798
ΔH_f, kcal/mol:	-74.29
Dipole, Da:	2.53
IP(EA), eV:	-9.6(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diphenyl-6-[3-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)phenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)C(F)(F)F)C3=NC(=CO3)I

DOS

IR

Vibrations