Geometry & MOs

Info

ID:	220876
PubChem CID:	85240249
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-224.12
Dipole, Da:	2.72
IP(EA), eV:	-9.47(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-hydroxycyclobutyl)-phenylmethyl] benzoate

Drug info:

PubChemData

Smile

CC(CC(C(COC(=O)C)OCC1=CC=CC=C1)O)O

DOS

IR

Vibrations