Geometry & MOs

Info

ID:	39990
PubChem CID:	8143357
Reduced:	ClO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	290.169094
ΔH_f, kcal/mol:	10.68
Dipole, Da:	9.18
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-methylbenzimidazole-2-thione

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations