Geometry & MOs

Info

ID:	349774
PubChem CID:	127276166
Reduced:	F2O2N4C15H22 (1)
Stoich.:	A2B2C4D15E22 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-162.93
Dipole, Da:	3.71
IP(EA), eV:	-9.34(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)N2CCN(CC2)CC3=NC=CN3C(F)F

DOS

IR

Vibrations