Geometry & MOs

Info

ID:	400120
PubChem CID:	135045668
Reduced:	BrFOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	288.012412
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	4.18
IP(EA), eV:	-8.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC=C(C(C1)OC2=CC=C(C=C2)F)Br

DOS

IR

Vibrations