Geometry & MOs

Info

ID:	404088
PubChem CID:	135064947
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	294.110338
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	3.52
IP(EA), eV:	-8.05(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1S)-1,2-diacetyloxyethyl]phenyl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C[C@@H](C1=CC=C(C=C1)C)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations