Geometry & MOs

Info

ID:	293268
PubChem CID:	117380500
Reduced:	OF2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	251.090606
ΔH_f, kcal/mol:	-61.19
Dipole, Da:	5.56
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C3CCOC3=C(C=C2F)F)N

DOS

IR

Vibrations