Geometry & MOs

Info

ID:	311365
PubChem CID:	126591138
Reduced:	FNC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	562.179361
ΔH_f, kcal/mol:	-43.22
Dipole, Da:	2.04
IP(EA), eV:	-8.96(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2CN3CC(C3)(F)F)CN1CC4=CC=CC=C4

DOS

IR

Vibrations