Geometry & MOs

Info

ID:	25838
PubChem CID:	631570
Reduced:	ON3F6H17C19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	349.03136
ΔH_f, kcal/mol:	-287.87
Dipole, Da:	12.49
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-bromo-10-hydroxy-2,3,4,4a,5,6,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C3=C(CCCC3)C(C(=C2N)C#N)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations