Geometry & MOs

Info

ID:	295593
PubChem CID:	117535837
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-118.23
Dipole, Da:	4.51
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-(4-methoxy-3-methylphenyl)propan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations