Geometry & MOs

Info

ID:	289318
PubChem CID:	104345001
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	269.156184
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	4.4
IP(EA), eV:	-9.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-6-propan-2-ylsulfanyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)SCCO)N

DOS

IR

Vibrations