Geometry & MOs

Info

ID:	374137
PubChem CID:	131324177
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-99.88
Dipole, Da:	2.28
IP(EA), eV:	-8.61(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-hydroxypropan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(C=CC(=C1)CCl)N

DOS

IR

Vibrations