Geometry & MOs

Info

ID:	81884
PubChem CID:	49855302
Reduced:	OC10H19 (2)
Stoich.:	AB10C19 (2)
Weight, g/mol:	467.191957
ΔH_f, kcal/mol:	-151.77
Dipole, Da:	5.32
IP(EA), eV:	-10.67(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,5R,6aR)-6-(4-methoxyphenyl)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]-6a-methyl-5-(trifluoromethyl)-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrole

Drug info:

PubChemData

Smile

CC(C)CCCCCCCCCCC[C@@H]1C[C@@H]1CCC(=O)O

DOS

IR

Vibrations