Geometry & MOs

Info

ID:	398300
PubChem CID:	135032704
Reduced:	BrN3O4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	288.012412
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	5.99
IP(EA), eV:	-8.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2Br)N3N=CC(=N3)C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations