Geometry & MOs

Info

ID:	373659
PubChem CID:	131318344
Reduced:	ClFNSO4H7C8 (1)
Stoich.:	ABCDE4F7G8 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-130.27
Dipole, Da:	3.84
IP(EA), eV:	-11.21(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-5-ethyl-2-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)Cl)C)[N+](=O)[O-])F

DOS

IR

Vibrations