Geometry & MOs

Info

ID:	142361
PubChem CID:	53021352
Reduced:	FN3O4H22C26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-83.83
Dipole, Da:	6.59
IP(EA), eV:	-8.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxyphenyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CNC(=O)C2=CC(=CC=C2)OC3=NC=NC(=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations