Geometry & MOs

Info

ID:	147276
PubChem CID:	53786931
Reduced:	ClN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-53.99
Dipole, Da:	3.98
IP(EA), eV:	-8.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2C(=C(NC2=O)O)C3=CC=CC=C3

DOS

IR

Vibrations