Geometry & MOs

Info

ID:	379968
PubChem CID:	134964410
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	21.31
Dipole, Da:	5.38
IP(EA), eV:	-10.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-4-(4-acetylphenyl)-4-hydroxybut-1-enyl] acetate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C[C@H](C(C=C1)(C#N)C#N)CC=O

DOS

IR

Vibrations