Geometry & MOs

Info

ID:	373158
PubChem CID:	131310841
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	240.027725
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	3.79
IP(EA), eV:	-9.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(chloromethyl)-4-methyl-5-(trifluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

CN1CC(C2=C(C1)SC(=C2)C(=O)O)N(C)C

DOS

IR

Vibrations