Geometry & MOs

Info

ID:	121771
PubChem CID:	50781088
Reduced:	O2N6C27H34 (1)
Stoich.:	A2B6C27D34 (1)
Weight, g/mol:	497.24269
ΔH_f, kcal/mol:	-20.04
Dipole, Da:	5.21
IP(EA), eV:	-8.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2CCN(CC2)C3=NC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations