Geometry & MOs

Info

ID:	379903
PubChem CID:	134964179
Reduced:	O4H10C11 (1)
Stoich.:	A4B10C11 (1)
Weight, g/mol:	244.00989
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	2.03
IP(EA), eV:	-9.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(bromomethyl)-7-methyl-6-oxabicyclo[3.2.1]oct-3-ene-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)[C@@H]2[C@H](O2)C=O

DOS

IR

Vibrations