Geometry & MOs

Info

ID:	121778
PubChem CID:	50781095
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	450.217952
ΔH_f, kcal/mol:	-17.87
Dipole, Da:	3.86
IP(EA), eV:	-8.71(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=N2)N=C(C1=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations