Geometry & MOs

Info

ID:	294096
PubChem CID:	117427046
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	269.020333
ΔH_f, kcal/mol:	37.2
Dipole, Da:	3.13
IP(EA), eV:	-8.56(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2=CC=CC(=C2)C3=C(N(N=C3)C)N

DOS

IR

Vibrations