Geometry & MOs

Info

ID:	360115
PubChem CID:	127300500
Reduced:	FON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-20.15
Dipole, Da:	6.93
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C#N)F)NC(=O)N3CCN(CC3)C4CC4

DOS

IR

Vibrations