Geometry & MOs

Info

ID:	121783
PubChem CID:	50781100
Reduced:	O3N5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	6.12
IP(EA), eV:	-8.49(-0.94)
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-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations