Geometry & MOs

Info

ID:

162963

PubChem CID:

57581056

Reduced:

NOC15H19 (1)

Stoich.:

ABC15D19 (1)

Weight, g/mol:

604.217205

ΔHf, kcal/mol:

-14.15

Dipole, Da:

4.7

IP(EA), eV:

 -8.98(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)CN(C1)CC2=CC=CC=C2

DOS

IR

Vibrations