Geometry & MOs

Info

ID:	350288
PubChem CID:	127277366
Reduced:	OF2N7C18H23 (1)
Stoich.:	AB2C7D18E23 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	9.26
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C(F)F

DOS

IR

Vibrations