Geometry & MOs

Info

ID:	325410
PubChem CID:	126683136
Reduced:	N3H47C73 (1)
Stoich.:	A3B47C73 (1)
Weight, g/mol:	779.304896
ΔH_f, kcal/mol:	450.89
Dipole, Da:	0.57
IP(EA), eV:	-8.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole

Drug info:

Smile

C1=CC=C(C=C1)C2=NC(=CC(=N2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=CC=CC=C7C6(C8=CC=CC=C8)C9=CC=CC=C9)C1C2=CC=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2C1(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations