Geometry & MOs

Info

ID:	781
PubChem CID:	3348
Reduced:	NO4C32H39 (1)
Stoich.:	AB4C32D39 (1)
Weight, g/mol:	501.287909
ΔH_f, kcal/mol:	-136.0
Dipole, Da:	2.4
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O

DOS

IR

Vibrations