Geometry & MOs

Info

ID:	121782
PubChem CID:	50781099
Reduced:	FO2N5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	483.22704
ΔH_f, kcal/mol:	-25.69
Dipole, Da:	5.39
IP(EA), eV:	-8.42(-0.96)
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-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=C(C=C2)F)C3=NC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations