Geometry & MOs

Info

ID:	121789
PubChem CID:	50781194
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	3.3
IP(EA), eV:	-8.25(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCN(CC1)C2=NC3=C(N=CC=C3)N(C2=O)CC

DOS

IR

Vibrations