Geometry & MOs

Info

ID:	189689
PubChem CID:	77889863
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	-24.45
Dipole, Da:	1.16
IP(EA), eV:	-8.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-phenylbenzoyl)-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=CC6=C(C=C5)C7=CC=CC=C7O6

DOS

IR

Vibrations