Geometry & MOs

Info

ID:	205479
PubChem CID:	80109571
Reduced:	ClN2O4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	4.86
IP(EA), eV:	-10.3(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-1-amine

Drug info:

PubChemData

Smile

C1C(CO1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations