Geometry & MOs

Info

ID:	233870
PubChem CID:	92098559
Reduced:	SO3N6C22H24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-44.44
Dipole, Da:	6.75
IP(EA), eV:	-9.16(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=C3N(C2=O)C(CS3)CC(=O)NC4CCC(CC4)OC5=NC=CN=C5C#N

DOS

IR

Vibrations