Geometry & MOs

Info

ID:	142363
PubChem CID:	53021662
Reduced:	FO2N6C27H27 (1)
Stoich.:	AB2C6D27E27 (1)
Weight, g/mol:	482.243024
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	5.91
IP(EA), eV:	-8.65(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(3,5-dimethylphenyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations