Geometry & MOs

Info

ID:	139805
PubChem CID:	52600744
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-26.45
Dipole, Da:	1.68
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylprop-2-en-1-amine

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)[C@H]3CCCN(C3)CCS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations