Geometry & MOs

Info

ID:	88942
PubChem CID:	49957983
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	325.106256
ΔH_f, kcal/mol:	9.45
Dipole, Da:	1.3
IP(EA), eV:	-9.11(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylphenoxy)methyl]-5-(2-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations