Geometry & MOs

Info

ID:	121772
PubChem CID:	50781089
Reduced:	O3N5C29H31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	0.63
IP(EA), eV:	-8.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations