Geometry & MOs

Info

ID:	121793
PubChem CID:	50781441
Reduced:	FO2N5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	1.73
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=C(C=CC=N3)N=C(C2=O)N4CCC(CC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations