Geometry & MOs

Info

ID:	295923
PubChem CID:	117547592
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-148.26
Dipole, Da:	4.62
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3-pyridin-4-yloxetan-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1(COC1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations