Geometry & MOs

Info

ID:	76813
PubChem CID:	48425419
Reduced:	F2N2O2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	414.03612
ΔH_f, kcal/mol:	-183.76
Dipole, Da:	3.0
IP(EA), eV:	-9.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(diethylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCC1=C(C=CC(=C1)F)F

DOS

IR

Vibrations