Geometry & MOs

Info

ID:	162965
PubChem CID:	57581060
Reduced:	OC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	568.179676
ΔH_f, kcal/mol:	-79.99
Dipole, Da:	4.74
IP(EA), eV:	-9.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,6R,7R,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(2-methylphenyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)COC1

DOS

IR

Vibrations