Geometry & MOs

Info

ID:	363183
PubChem CID:	127310251
Reduced:	OF2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-65.59
Dipole, Da:	3.86
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C3=C4C=C(C=CC4=NC=C3C#N)OC(F)F

DOS

IR

Vibrations