Geometry & MOs

Info

ID:	142365
PubChem CID:	53021708
Reduced:	O2N6C27H28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	498.237939
ΔH_f, kcal/mol:	9.2
Dipole, Da:	2.91
IP(EA), eV:	-8.69(-1.11)
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-(2-methoxy-5-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NC2CCN(CC2)C3=NC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations