Geometry & MOs

Info

ID:	18152
PubChem CID:	538579
Reduced:	O2N3H4C5 (2)
Stoich.:	A2B3C4D5 (2)
Weight, g/mol:	276.060703
ΔH_f, kcal/mol:	85.71
Dipole, Da:	6.25
IP(EA), eV:	-10.11(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[(6-nitrobenzotriazol-1-yl)oxymethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CON2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

DOS

IR

Vibrations