Geometry & MOs

Info

ID:	287136
PubChem CID:	104233762
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	289.147807
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	5.14
IP(EA), eV:	-9.42(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-fluoro-6-methoxyphenyl)-1-hydroxyethyl]bicyclo[2.2.1]heptane-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C#N)C(C)(C1=C(C=CC=C1F)OC)O

DOS

IR

Vibrations