Geometry & MOs

Info

ID:	316504
PubChem CID:	126631024
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	1123.35224
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	2.6
IP(EA), eV:	-9.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[2,4-bis[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=CC(=C2)/C=C/C3(CCN(CC3)C(=O)OC(C)(C)C)C)C=C1

DOS

IR

Vibrations