Geometry & MOs

Info

ID:	125842
PubChem CID:	50941221
Reduced:	ClO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	3.66
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-hydroxy-3-methylpent-1-enyl] acetate

Drug info:

PubChemData

Smile

COC(=O)C(=C)[C@H](C1=CC=CC=C1)[C@H](C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations