Geometry & MOs

Info

ID:	262136
PubChem CID:	103272403
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	1.77
IP(EA), eV:	-8.74(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(2-methyl-5-nitrophenoxy)cyclobutyl]acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OC2(CCC2)CC(=O)OC

DOS

IR

Vibrations