Geometry & MOs

Info

ID:	386128
PubChem CID:	134980853
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	442.025966
ΔH_f, kcal/mol:	-119.26
Dipole, Da:	3.8
IP(EA), eV:	-9.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-acetyloxy-1-(4-methoxyphenyl)prop-1-en-2-yl]-chloromercury

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@H](C2=C(O1)C=CC(=C2)C(=O)C)O

DOS

IR

Vibrations