Geometry & MOs

Info

ID:

326349

PubChem CID:

126687373

Reduced:

N2F3O3C23H29 (1)

Stoich.:

A2B3C3D23E29 (1)

Weight, g/mol:

420.202463

ΔHf, kcal/mol:

-267.99

Dipole, Da:

4.35

IP(EA), eV:

 -9.07(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,6aS)-2-[2-(5-hydroxypyridin-2-yl)propyl]-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CC[C@@H]1CN(C[C@@H]1C[C@@H](CC2=CC=C(C=C2)C(F)(F)F)O)CC(C3=NC=C(C=C3)O)O

DOS

IR

Vibrations