Geometry & MOs

Info

ID:	26281
PubChem CID:	643519
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	207.951641
ΔH_f, kcal/mol:	-31.02
Dipole, Da:	6.28
IP(EA), eV:	-9.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-2-methylsulfanylphenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)[N+](=O)[O-])C(C)(C)C

DOS

IR

Vibrations