Geometry & MOs

Info

ID:	137403
PubChem CID:	52204151
Reduced:	BrO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	2.97
IP(EA), eV:	-8.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(diethylamino)pyridin-3-yl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)C2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations