Geometry & MOs

Info

ID:	121786
PubChem CID:	50781191
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	467.232125
ΔH_f, kcal/mol:	-30.51
Dipole, Da:	5.07
IP(EA), eV:	-8.37(-0.88)
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-methylphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1CCN(CC1)C2=NC3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations