Geometry & MOs

Info

ID:

229285

PubChem CID:

87567330

Reduced:

ON3F6C26H37 (1)

Stoich.:

AB3C6D26E37 (1)

Weight, g/mol:

521.284082

ΔHf, kcal/mol:

-381.12

Dipole, Da:

8.13

IP(EA), eV:

 -8.7(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC[C@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N(C)C(C)C

DOS

IR

Vibrations