Geometry & MOs

Info

ID:	405778
PubChem CID:	135075437
Reduced:	OCl2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	234.02554
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	2.41
IP(EA), eV:	-9.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R,8S)-4-bromo-5-methoxy-9-oxabicyclo[6.1.0]nonane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]([C@H](CO)Cl)Cl

DOS

IR

Vibrations