Geometry & MOs

Info

ID:	139934
PubChem CID:	52619252
Reduced:	N2O4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	387.100125
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	5.85
IP(EA), eV:	-9.51(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC(=O)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations