Geometry & MOs

Info

ID:	189695
PubChem CID:	77889869
Reduced:	ON4C32H32 (1)
Stoich.:	AB4C32D32 (1)
Weight, g/mol:	400.226312
ΔH_f, kcal/mol:	47.58
Dipole, Da:	2.52
IP(EA), eV:	-8.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-phenylpyridin-2-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)N(C3=NC4CCC(CC4C(=O)N23)N5C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C8

DOS

IR

Vibrations