Geometry & MOs

Info

ID:	54483
PubChem CID:	17388757
Reduced:	ClN3O5H12C15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	259.097521
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	10.75
IP(EA), eV:	-8.83(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=C/C(=C/NNC(=O)C2=CC=C(C=C2)Cl)/C1=O)[N+](=O)[O-]

DOS

IR

Vibrations