Geometry & MOs

Info

ID:	295954
PubChem CID:	117548612
Reduced:	FNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	5.91
IP(EA), eV:	-9.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methoxy-5-methylphenyl)oxetan-3-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1(COC1)C2=C(C=CC(=C2)F)OC

DOS

IR

Vibrations