Geometry & MOs

Info

ID:	189694
PubChem CID:	77889868
Reduced:	ON3C27H31 (1)
Stoich.:	AB3C27D31 (1)
Weight, g/mol:	488.257612
ΔH_f, kcal/mol:	-3.02
Dipole, Da:	2.08
IP(EA), eV:	-9.03(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbazol-9-yl-6-phenyl-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)CC5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations