Geometry & MOs

Info

ID:	287743
PubChem CID:	104293593
Reduced:	N2O5H12C13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	4.36
IP(EA), eV:	-10.03(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(3-methyl-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC=N1)C2=CC(=CC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations