Geometry & MOs

Info

ID:	298979
PubChem CID:	117664949
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	480.11946
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	2.93
IP(EA), eV:	-8.62(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[5-bromo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C(=CC=C1)CN2CCOCC2)O

DOS

IR

Vibrations