Geometry & MOs

Info

ID:	342577
PubChem CID:	127265737
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	-50.95
Dipole, Da:	2.73
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2-pyrazin-2-ylprop-1-enyl)phenoxy]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C(=O)OC)OC1=CC=C(C=C1)C=C(C)C2=NC=CN=C2

DOS

IR

Vibrations