Geometry & MOs

Info

ID:	52589
PubChem CID:	12015519
Reduced:	ClN4O6H7C10 (1)
Stoich.:	AB4C6D7E10 (1)
Weight, g/mol:	310.054949
ΔH_f, kcal/mol:	23.1
Dipole, Da:	5.22
IP(EA), eV:	-9.32(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dinitroethanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)C([N+](=O)[O-])([N+](=O)[O-])Cl

DOS

IR

Vibrations