Geometry & MOs

Info

ID:	382720
PubChem CID:	134974039
Reduced:	BrO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-115.89
Dipole, Da:	3.27
IP(EA), eV:	-9.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,7S,8R,9R,10R,14R)-7-hydroxy-3-methyltetracyclo[7.5.1.02,8.010,14]pentadeca-5,12-dien-4-one

Drug info:

PubChemData

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C1[C@H]([C@H](O[C@H]1C2=CC=C(C=C2)Br)CO)O

DOS

IR

Vibrations