Geometry & MOs

Info

ID:	372189
PubChem CID:	131294218
Reduced:	FNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	221.085207
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	5.62
IP(EA), eV:	-9.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-5-hydroxy-4-methoxyphenyl)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C(=O)O)C2=CC=CC=C2F

DOS

IR

Vibrations