Geometry & MOs

Info

ID:	30498
PubChem CID:	841417
Reduced:	Cl2O3N4H10C12 (1)
Stoich.:	A2B3C4D10E12 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	0.83
Dipole, Da:	6.96
IP(EA), eV:	-9.52(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations