Geometry & MOs

Info

ID:	16083
PubChem CID:	459306
Reduced:	ClNO3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	245.081871
ΔH_f, kcal/mol:	-143.3
Dipole, Da:	10.64
IP(EA), eV:	-8.45(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-2,4-dimethoxyphenyl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(C=C1OC)OC)N.Cl

DOS

IR

Vibrations