Geometry & MOs

Info

ID:	388712
PubChem CID:	134989983
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	8.5
Dipole, Da:	3.42
IP(EA), eV:	-9.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxy-3-oxido-3a,7a-dihydrobenzimidazol-3-ium-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=C2CC(CCC2=[N+]1[O-])C(C)(C)C

DOS

IR

Vibrations