Geometry & MOs

Info

ID:	398349
PubChem CID:	135032893
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	338.136553
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	6.66
IP(EA), eV:	-8.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S,8S,8aR)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C[C@@H]2CCC(=O)O2

DOS

IR

Vibrations