Geometry & MOs

Info

ID:	29284
PubChem CID:	832799
Reduced:	OS2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	294.160637
ΔH_f, kcal/mol:	4.65
Dipole, Da:	4.63
IP(EA), eV:	-8.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-ethyl-N,2-dimethyl-1-phenylbenzimidazol-3-ium-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=S)NC(=O)C2=CC=CS2

DOS

IR

Vibrations