Geometry & MOs

Info

ID:	295429
PubChem CID:	117528589
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	32.27
Dipole, Da:	5.71
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethylbenzimidazol-5-yl)oxetane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1=NC2=C(N1C)C=C(C=C2)C3(COC3)C#N

DOS

IR

Vibrations