Geometry & MOs

Info

ID:	311371
PubChem CID:	126591202
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	754.309647
ΔH_f, kcal/mol:	24.31
Dipole, Da:	6.08
IP(EA), eV:	-7.65(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-[11-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-11-phenylindeno[1,2-b]carbazol-5-yl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=C(CC2)OC)C3=C1CC4=CC=CC=C43

DOS

IR

Vibrations