Geometry & MOs

Info

ID:	51066
PubChem CID:	12013684
Reduced:	BrFOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	344.04119
ΔH_f, kcal/mol:	-29.32
Dipole, Da:	5.52
IP(EA), eV:	-9.16(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-4-(bromomethyl)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-ol

Drug info:

PubChemData

Smile

C\1[C@H]2[C@@H](C3=C(CC4=CC=CC=C24)C=CC(=C3)F)O/C1=C\Br

DOS

IR

Vibrations