Geometry & MOs

Info

ID:	293724
PubChem CID:	117397669
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-104.36
Dipole, Da:	1.74
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-3,6-dimethoxy-4-methylphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CNCC(=O)C1=C(C=C(C=C1OC)Cl)COC

DOS

IR

Vibrations