Geometry & MOs

Info

ID:	342710
PubChem CID:	127265870
Reduced:	SN3O3H13C17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-41.95
Dipole, Da:	2.07
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxy-3-methylsulfanylphenyl)ethenyl]-6-methylpyrazine

Drug info:

PubChemData

Smile

CC(=CC1=CC2=C(C=C1)OCC(=O)N2)C3=NC4=C(C=CS4)C(=O)N3

DOS

IR

Vibrations