Geometry & MOs

Info

ID:	295428
PubChem CID:	117528588
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	71.14
Dipole, Da:	4.74
IP(EA), eV:	-9.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methyl-2-(2-methylpropyl)benzimidazol-5-yl]oxetane-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C3(COC3)C#N)N=C1C4CC4

DOS

IR

Vibrations