Geometry & MOs

Info

ID:	373463
PubChem CID:	131315666
Reduced:	FNOSC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	221.085207
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	4.12
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)[C@H](C2=CC=CS2)N

DOS

IR

Vibrations