Geometry & MOs

Info

ID:	76887
PubChem CID:	48425530
Reduced:	BrN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	302.085577
ΔH_f, kcal/mol:	-115.68
Dipole, Da:	2.52
IP(EA), eV:	-9.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=C(O1)COC2=CC(=CC=C2)Br

DOS

IR

Vibrations