Geometry & MOs

Info

ID:	342571
PubChem CID:	127265731
Reduced:	ClO2N3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	324.068097
ΔH_f, kcal/mol:	70.08
Dipole, Da:	4.83
IP(EA), eV:	-10.28(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-nitrophenyl)-4-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC2=NC=NC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations