Geometry & MOs

Info

ID:	326350
PubChem CID:	126687374
Reduced:	N2O2F3C23H27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-223.32
Dipole, Da:	5.01
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=C(C=C3)C(F)(F)F)O)C4=NC=C(C=C4)O

DOS

IR

Vibrations