Geometry & MOs

Info

ID:	369530
PubChem CID:	127334300
Reduced:	NOC4H5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-134.12
Dipole, Da:	4.27
IP(EA), eV:	-9.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[3-[(6-methylpyridazin-3-yl)amino]phenyl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)(C#N)C(=O)N2CCN(CC2)C(=O)CN3C(=O)CCC3=O

DOS

IR

Vibrations