Geometry & MOs

Info

ID:	305384
PubChem CID:	124807066
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	340.133554
ΔH_f, kcal/mol:	-3.0
Dipole, Da:	4.55
IP(EA), eV:	-8.76(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-[(3-fluorophenyl)methyl]-2-(pyridazine-4-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2C[C@H]3CN(C[C@H]3C2=O)C4=NC=CC=N4

DOS

IR

Vibrations