Geometry & MOs

Info

ID:	307005
PubChem CID:	125264626
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-1.76
Dipole, Da:	3.65
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-4-(1-methylpyrazol-4-yl)-1-[(3S)-oxolan-3-yl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

CN(CC1=CN=CN=C1)[C@@H]2CN([C@H]3[C@H]2OCCC3)CC4=COC=C4

DOS

IR

Vibrations