Geometry & MOs

Info

ID:	262137
PubChem CID:	103272659
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-119.83
Dipole, Da:	4.12
IP(EA), eV:	-9.5(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(hydroxymethyl)phenoxy]cyclobutyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])OC2(CCC2)CC(=O)OC

DOS

IR

Vibrations