Geometry & MOs

Info

ID:	159807
PubChem CID:	57288771
Reduced:	O4C21H38 (1)
Stoich.:	A4B21C38 (1)
Weight, g/mol:	233.98505
ΔH_f, kcal/mol:	-240.53
Dipole, Da:	3.81
IP(EA), eV:	-9.84(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dichloro-2-methoxyphenyl) acetate

Drug info:

PubChemData

Smile

CCCCCC(C)(C=CC1CCC(C1CCCCCCC(=O)O)O)O

DOS

IR

Vibrations