Geometry & MOs

Info

ID:	383450
PubChem CID:	134975182
Reduced:	O2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	490.214409
ΔH_f, kcal/mol:	-220.75
Dipole, Da:	2.7
IP(EA), eV:	-9.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3S)-3-formyl-2-(2-trityloxyethyl)cyclobutyl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C1)C)[C@H]2C[C@@H]([C@@H]2CCO)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations