Geometry & MOs

Info

ID:	299935
PubChem CID:	117967532
Reduced:	O3N6H20C24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	423.058611
ΔH_f, kcal/mol:	15.3
Dipole, Da:	0.8
IP(EA), eV:	-8.94(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-[2,6-difluoro-4-(2-phenylethynyl)phenyl]-7-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N2C=CC=CC2=N1)NC(=O)NC3=C(N=C4N3C=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations