Geometry & MOs

Info

ID:	342063
PubChem CID:	127264776
Reduced:	ON3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	72.83
Dipole, Da:	4.38
IP(EA), eV:	-9.19(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxy-4-methylsulfanylphenyl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC2=NC=NC=C2)C#N

DOS

IR

Vibrations