Geometry & MOs

Info

ID:	379160
PubChem CID:	134355021
Reduced:	SN2O2F3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	355.204848
ΔH_f, kcal/mol:	-193.78
Dipole, Da:	1.62
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-azabicyclo[2.2.1]heptan-3-yl)-6-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CCSCC(=O)C1=NC=C(N1C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations