Geometry & MOs

Info

ID:	223441
PubChem CID:	85335048
Reduced:	O2N7C17H21 (1)
Stoich.:	A2B7C17D21 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	36.56
Dipole, Da:	4.76
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-2H-pyrazin-3-one

Drug info:

PubChemData

Smile

CC1CN2CCN(CC2CO1)C3=CC4=NC(=NN4C(=N3)N)C5=CC=CO5

DOS

IR

Vibrations