Geometry & MOs

Info

ID:	184110
PubChem CID:	77111139
Reduced:	O2N3C10H21 (1)
Stoich.:	A2B3C10D21 (1)
Weight, g/mol:	264.073262
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	3.56
IP(EA), eV:	-8.78(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(CC(=NO)N)NCC1CC(C1)O

DOS

IR

Vibrations