Geometry & MOs

Info

ID:	45545
PubChem CID:	10514771
Reduced:	FNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	1.15
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-butyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)CO

DOS

IR

Vibrations