Geometry & MOs

Info

ID:	121792
PubChem CID:	50781397
Reduced:	FO2N5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	471.207053
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	3.89
IP(EA), eV:	-8.59(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4)C(=O)NCC5=CC(=CC=C5)F

DOS

IR

Vibrations