Geometry & MOs

Info

ID:	126812
PubChem CID:	50979968
Reduced:	ON7H17C20 (1)
Stoich.:	AB7C17D20 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	137.33
Dipole, Da:	6.9
IP(EA), eV:	-9.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1C(C2=CNN(C2=NC1=O)CC3=CC=NC=C3)C4=CC=C(C=C4)N5C=NC=N5

DOS

IR

Vibrations