Geometry & MOs

Info

ID:	173228
PubChem CID:	75611615
Reduced:	O3N8C10H14 (1)
Stoich.:	A3B8C10D14 (1)
Weight, g/mol:	409.090144
ΔH_f, kcal/mol:	48.76
Dipole, Da:	4.32
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methylidene]amino] acetate

Drug info:

PubChemData

Smile

CCOC(=O)NN=C(C)C1=C(N(N=N1)C2=NON=C2N)C

DOS

IR

Vibrations