Geometry & MOs

Info

ID:	217441
PubChem CID:	85087827
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	364.188589
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	6.14
IP(EA), eV:	-9.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]phenoxy]octanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC2=CC=NC=C2)NC(=O)NCC3=CC=CO3

DOS

IR

Vibrations