Geometry & MOs

Info

ID:	28221
PubChem CID:	826385
Reduced:	NSC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	43.64
Dipole, Da:	1.56
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-methylsulfanyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CC=CC=C2CCN

DOS

IR

Vibrations