Geometry & MOs

Info

ID:	270494
PubChem CID:	103636868
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	290.076353
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	4.37
IP(EA), eV:	-8.72(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC2=C(C=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations