Geometry & MOs

Info

ID:	341543
PubChem CID:	127264236
Reduced:	ClOSN3C9H20 (1)
Stoich.:	ABCD3E9F20 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	4.01
IP(EA), eV:	-9.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1,3,6-trimethylbenzimidazol-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC1(CN=C(S1)N2CCNCC2)C.O.Cl

DOS

IR

Vibrations