Geometry & MOs

Info

ID:	306745
PubChem CID:	125237038
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-24.05
Dipole, Da:	5.13
IP(EA), eV:	-9.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6aR)-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-[(2S)-oxolan-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]2[C@@H]1OCCN2CC3=CC=NC=C3)C(=O)CC4=CC=CC=N4

DOS

IR

Vibrations