Geometry & MOs

Info

ID:	386369
PubChem CID:	134981535
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	5.7
IP(EA), eV:	-10.4(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-methyl-4-phenylbut-2-en-2-yl] acetate

Drug info:

PubChemData

Smile

CCCC[C@H]1C=C[C@H]2[C@@H]1CC(=O)O2

DOS

IR

Vibrations