Geometry & MOs

Info

ID:	307007
PubChem CID:	125264629
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-23.01
Dipole, Da:	2.81
IP(EA), eV:	-8.49(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,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

CN1C=C(C=N1)N2[C@H]3CCN([C@@H]3CC2=O)[C@@H]4CCOC4

DOS

IR

Vibrations