Geometry & MOs

Info

ID:	181249
PubChem CID:	76721504
Reduced:	BrON4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	523.12122
ΔH_f, kcal/mol:	2.6
Dipole, Da:	5.46
IP(EA), eV:	-8.19(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-(1-hydroxyhexyl)phenyl]-N-[4-(2H-thiophen-2-id-5-yl)butyl]benzamide;yttrium

Drug info:

PubChemData

Smile

CCCC1CCCN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4

DOS

IR

Vibrations