Geometry & MOs

Info

ID:	326229
PubChem CID:	126687206
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-108.72
Dipole, Da:	3.33
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1O)CC(=O)C3=CC4=C(C=C3)NC(=O)C4

DOS

IR

Vibrations