Geometry & MOs

Info

ID:	7813
PubChem CID:	74228
Reduced:	ClNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	6.43
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-1-(2-hydroxyphenyl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

CN(C)CCC(=O)C1=CC=CC=C1O.Cl

DOS

IR

Vibrations