Geometry & MOs

Info

ID:	189687
PubChem CID:	77889785
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	488.257612
ΔH_f, kcal/mol:	-78.93
Dipole, Da:	2.0
IP(EA), eV:	-8.7(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-carbazol-9-ylphenyl)-1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrobenzimidazolo[2,1-b]quinazolin-12-one

Drug info:

PubChemData

Smile

CNC1=NC(=CC(=N1)N2CCC(C2)(COC)C(=O)NC3CCCCC3)N

DOS

IR

Vibrations