Geometry & MOs

Info

ID:	326373
PubChem CID:	126687420
Reduced:	ClOPSH2I2N2C4 (1)
Stoich.:	ABCDE2F2G2H4 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	4.0
IP(EA), eV:	-9.83(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC(=N1)Cl)OSP(I)I

DOS

IR

Vibrations