Geometry & MOs

Info

ID:	295952
PubChem CID:	117548575
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	-15.6
Dipole, Da:	2.96
IP(EA), eV:	-9.58(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-tert-butylphenyl)oxetan-3-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1(COC1)C2=CC=CO2

DOS

IR

Vibrations