Geometry & MOs

Info

ID:	293723
PubChem CID:	117397634
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-129.05
Dipole, Da:	5.44
IP(EA), eV:	-9.55(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C)C(CC(=O)O)N)Cl

DOS

IR

Vibrations