Geometry & MOs

Info

ID:	284465
PubChem CID:	104047951
Reduced:	FNO5H10C14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-124.92
Dipole, Da:	8.55
IP(EA), eV:	-10.03(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methyl-4-nitrophenoxy)pentane-1-thiol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=C(C(=CC=C2)F)C(=O)O

DOS

IR

Vibrations