Geometry & MOs

Info

ID:	339402
PubChem CID:	127261298
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	2.57
IP(EA), eV:	-8.66(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-5-phenylphenyl) acetate

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=C(C=C1)O)O/N=C/C

DOS

IR

Vibrations