Geometry & MOs

Info

ID:	206240
PubChem CID:	80222517
Reduced:	FNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	275.132157
ΔH_f, kcal/mol:	-92.9
Dipole, Da:	4.08
IP(EA), eV:	-9.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-fluoro-4-methylphenyl)-1-hydroxyethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(CCO)CN)F

DOS

IR

Vibrations