Geometry & MOs

Info

ID:	342458
PubChem CID:	127265613
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	44.39
Dipole, Da:	2.95
IP(EA), eV:	-8.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=CC4=NC=NC=C4

DOS

IR

Vibrations