Geometry & MOs

Info

ID:	189688
PubChem CID:	77889862
Reduced:	ON4C32H32 (1)
Stoich.:	AB4C32D32 (1)
Weight, g/mol:	413.210327
ΔH_f, kcal/mol:	37.57
Dipole, Da:	2.04
IP(EA), eV:	-7.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-dibenzofuran-3-yl-1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrobenzimidazolo[2,1-b]quinazolin-12-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N3C4CCCCC4N(C3=N2)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86

DOS

IR

Vibrations