Geometry & MOs

Info

ID:	343598
PubChem CID:	127266774
Reduced:	O4N5C13H15 (1)
Stoich.:	A4B5C13D15 (1)
Weight, g/mol:	317.083413
ΔH_f, kcal/mol:	-37.61
Dipole, Da:	9.72
IP(EA), eV:	-9.63(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-4-methoxy-6-[3-(2-propan-2-yl-1,3-thiazol-4-yl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C1=NC=CN1C)NC2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations