Geometry & MOs

Info

ID:	126718
PubChem CID:	50974653
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	365.188546
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	6.38
IP(EA), eV:	-8.45(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-propan-2-ylsulfanylethanone

Drug info:

PubChemData

Smile

CN1C[C@H]2CNC[C@]2(C1)C(=O)NCCC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations