Geometry & MOs

Info

ID:	371964
PubChem CID:	131282730
Reduced:	NSO3C9H19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	187.043342
ΔH_f, kcal/mol:	-159.39
Dipole, Da:	3.61
IP(EA), eV:	-9.48(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-hydroxynaphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)(C1CCN(C1)S(=O)(=O)C)O

DOS

IR

Vibrations