Geometry & MOs

Info

ID:	432988
PubChem CID:	135173125
Reduced:	ClN2H17C22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	625.251798
ΔH_f, kcal/mol:	104.13
Dipole, Da:	1.92
IP(EA), eV:	-9.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)pyrimidine

Drug info:

PubChemData

Smile

C1C(N=C(N=C1Cl)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations