Geometry & MOs

Info

ID:	141379
PubChem CID:	52871322
Reduced:	FN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	478.232853
ΔH_f, kcal/mol:	-98.28
Dipole, Da:	8.15
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)NC2=NC=C(C=C2)F

DOS

IR

Vibrations