Geometry & MOs

Info

ID:	129273
PubChem CID:	51072144
Reduced:	OCl2N2C21H34 (1)
Stoich.:	AB2C2D21E34 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-132.13
Dipole, Da:	7.94
IP(EA), eV:	-9.21(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hexyl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3C4CC5CC(C4)CC3C5.O.Cl.Cl

DOS

IR

Vibrations