Geometry & MOs

Info

ID:	326394
PubChem CID:	126687463
Reduced:	NO3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	370.205656
ΔH_f, kcal/mol:	-116.82
Dipole, Da:	1.11
IP(EA), eV:	-8.65(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations