Geometry & MOs

Info

ID:	372313
PubChem CID:	131296125
Reduced:	N2O2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	239.046154
ΔH_f, kcal/mol:	8.29
Dipole, Da:	0.68
IP(EA), eV:	-9.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(aminomethyl)-1,2,4-oxadiazol-3-ylidene]-2-chloro-5-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1C2=CN=CC=C2)C(=O)C

DOS

IR

Vibrations