Geometry & MOs

Info

ID:	178429
PubChem CID:	76329902
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	323.032728
ΔH_f, kcal/mol:	55.46
Dipole, Da:	4.32
IP(EA), eV:	-8.58(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenoxy)-N-methylpropan-2-amine;oxalic acid

Drug info:

PubChemData

Smile

CN(C)CCSC1=N/C(=C\2/C=CC=CC2=O)/NN1

DOS

IR

Vibrations