Geometry & MOs

Info

ID:	264259
PubChem CID:	103447018
Reduced:	ClOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	3.47
IP(EA), eV:	-9.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)C1=CC(=C(C=C1)Cl)Cl)O

DOS

IR

Vibrations