Geometry & MOs

Info

ID:	338005
PubChem CID:	127258628
Reduced:	NCl2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	360.1259
ΔH_f, kcal/mol:	-172.63
Dipole, Da:	6.77
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,4-dichlorophenoxy)-6-methylheptyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(=O)[C@@]1(CC(CN1)OC2=C(C=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations