Geometry & MOs

Info

ID:	401329
PubChem CID:	135050971
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	307.016684
ΔH_f, kcal/mol:	-201.16
Dipole, Da:	2.99
IP(EA), eV:	-9.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-5-phenyl-3H-1,3-oxazol-2-ylidene)cyclohexa-2,5-dien-1-one;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C(=O)C1=CC=CC=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations