Geometry & MOs

Info

ID:	295953
PubChem CID:	117548597
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	249.116507
ΔH_f, kcal/mol:	-9.71
Dipole, Da:	3.44
IP(EA), eV:	-9.38(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-fluoro-2-methoxyphenyl)oxetan-3-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2(COC2)C(C)(C)C#N

DOS

IR

Vibrations