Geometry & MOs

Info

ID:	373051
PubChem CID:	131309132
Reduced:	SN3O3C9H9 (1)
Stoich.:	AB3C3D9E9 (1)
Weight, g/mol:	205.090292
ΔH_f, kcal/mol:	-61.6
Dipole, Da:	7.06
IP(EA), eV:	-9.69(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-4-hydroxy-5-methylphenyl)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C2=NC(=NS2)CC(=O)O

DOS

IR

Vibrations