Geometry & MOs

Info

ID:	143311
PubChem CID:	53185217
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-108.65
Dipole, Da:	0.94
IP(EA), eV:	-9.09(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

COCCCNC(=O)NC1CCN(C1)CC2=CN=C(C=C2)OC

DOS

IR

Vibrations