Geometry & MOs

Info

ID:	26838
PubChem CID:	799348
Reduced:	ClSN3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	53.2
Dipole, Da:	6.32
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-piperidin-1-yl-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=CN=CC=C2

DOS

IR

Vibrations