Geometry & MOs

Info

ID:	326380
PubChem CID:	126687432
Reduced:	F2N2O2C21H24 (1)
Stoich.:	A2B2C2D21E24 (1)
Weight, g/mol:	357.185255
ΔH_f, kcal/mol:	-147.45
Dipole, Da:	1.12
IP(EA), eV:	-8.81(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=C(C=CC=C3F)F)O)CCC4=NC=C(C=C4)O

DOS

IR

Vibrations