Geometry & MOs

Info

ID:	326321
PubChem CID:	126687328
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-196.51
Dipole, Da:	6.15
IP(EA), eV:	-10.29(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(3aR,6aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1CCC2C(C1)OC(=O)[C@]2(C)OC(=O)C

DOS

IR

Vibrations