Geometry & MOs

Info

ID:	447809
PubChem CID:	135285915
Reduced:	BrON2F3H12C18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	393.184112
ΔH_f, kcal/mol:	-88.35
Dipole, Da:	5.95
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(6-methoxypyridin-3-yl)-11-phenyl-4,4a,11,11a-tetrahydro-1H-isoindolo[2,1-a]benzimidazole

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]1C3=NC4=CC(=C(C=C4N3[C@H]2C5=CC=CC=C5OC(F)F)Br)F

DOS

IR

Vibrations