Geometry & MOs

Info

ID:	209201
PubChem CID:	80637956
Reduced:	SN2O2C7H10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	324.079619
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	2.91
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(2,4-dichlorophenoxy)-5-methylpyridin-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

C1CC(SC1)C2=NOC(=N2)CO

DOS

IR

Vibrations