Geometry & MOs

Info

ID:	433102
PubChem CID:	135173239
Reduced:	NSH27C37 (1)
Stoich.:	ABC27D37 (1)
Weight, g/mol:	625.251798
ΔH_f, kcal/mol:	177.01
Dipole, Da:	0.93
IP(EA), eV:	-8.43(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-2-ylfluoren-2-yl)pyrimidine

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(C1(C3=CC=CC=C3)C4=CC=CC=N4)C=CC(=C2)C5=CC6=C(C=C5)SC7=CC=CC=C76)C=C

DOS

IR

Vibrations