Geometry & MOs

Info

ID:	326306
PubChem CID:	126687304
Reduced:	ClN3C21H28 (1)
Stoich.:	AB3C21D28 (1)
Weight, g/mol:	358.262028
ΔH_f, kcal/mol:	33.07
Dipole, Da:	4.44
IP(EA), eV:	-8.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC/C=C\C(=C(/CCC/C=C(\C)/C1=CNC2=C1C=C(C=N2)Cl)\N)\C

DOS

IR

Vibrations