Geometry & MOs

Info

ID:	292603
PubChem CID:	117355964
Reduced:	NS2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	241.011741
ΔH_f, kcal/mol:	2.06
Dipole, Da:	3.87
IP(EA), eV:	-8.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminooxymethyl)-2-chloro-5-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1SC)C(C)(C)N)SC

DOS

IR

Vibrations