Geometry & MOs

Info

ID:	404276
PubChem CID:	135065645
Reduced:	NPO3Cl6C10H18 (1)
Stoich.:	ABC3D6E10F18 (1)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	-259.45
Dipole, Da:	4.47
IP(EA), eV:	-10.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-acetyloxy-2-(3-methoxyphenyl)ethyl] acetate

Drug info:

PubChemData

Smile

CCCC(CC)NP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations