Geometry & MOs

Info

ID:	121791
PubChem CID:	50781396
Reduced:	O2N5C28H29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	471.207053
ΔH_f, kcal/mol:	7.17
Dipole, Da:	4.01
IP(EA), eV:	-8.78(-1.2)
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-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations