Geometry & MOs

Info

ID:	309609
PubChem CID:	126550762
Reduced:	ON4H30C43 (1)
Stoich.:	AB4C30D43 (1)
Weight, g/mol:	576.195011
ΔH_f, kcal/mol:	169.5
Dipole, Da:	3.64
IP(EA), eV:	-7.94(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=NC=NC8=C7OC9=CC=CC=C98)C2=CC=CC=C21

DOS

IR

Vibrations