Geometry & MOs

Info

ID:	60144
PubChem CID:	26675768
Reduced:	NO5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	466.01981
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	3.79
IP(EA), eV:	-8.71(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-methoxy-5-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzaldehyde

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)OC)OCC2=NOC(=C2)C3=CC=CO3

DOS

IR

Vibrations