Geometry & MOs

Info

ID:	404012
PubChem CID:	135064374
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	13.58
Dipole, Da:	6.79
IP(EA), eV:	-8.7(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-1-acetyloxy-3-hydroxy-1-phenylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=[N+](\C1=CC=CC=C1)/[O-])/C(=NC2=CC=CC=C2)C3=CC=C(C=C3)C

DOS

IR

Vibrations