Geometry & MOs

Info

ID:	56005
PubChem CID:	17402486
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	322.132885
ΔH_f, kcal/mol:	21.0
Dipole, Da:	2.81
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1CCCN(C2=NC3=CC=CC=C3N=C21)C(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations