Geometry & MOs

Info

ID:	399619
PubChem CID:	135041282
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	6.13
IP(EA), eV:	-10.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-8-methylspiro[2.5]oct-7-en-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CC=C2C(=O)[C@@]13CCOC3=O

DOS

IR

Vibrations