Geometry & MOs

Info

ID:	449173
PubChem CID:	135296556
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-55.06
Dipole, Da:	7.41
IP(EA), eV:	-8.09(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2C=C1OCCCCCO)N\3C=CC(=O)N/C3=C\N

DOS

IR

Vibrations