Geometry & MOs

Info

ID:	378055
PubChem CID:	134224124
Reduced:	N3H43C63 (1)
Stoich.:	A3B43C63 (1)
Weight, g/mol:	385.04661
ΔH_f, kcal/mol:	294.45
Dipole, Da:	3.23
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-bromophenyl)-3-phenylphenyl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=CC(=C2)C3=CC=CC=N3)C4=CC=CC=C4C5=CC(=CC(=C5)C6=CC=CC=C6C7=CC=C(C=C7)C8=CC=CC=N8)C9=CC=CC=C9C1=CC=C(C=C1)C1=CC=CC=N1

DOS

IR

Vibrations