Geometry & MOs

Info

ID:	392425
PubChem CID:	135016034
Reduced:	BrFO7C12H16 (1)
Stoich.:	ABC7D12E16 (1)
Weight, g/mol:	303.125929
ΔH_f, kcal/mol:	-367.62
Dipole, Da:	1.57
IP(EA), eV:	-10.47(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10Z)-20-methyl-2-oxa-20-azatetracyclo[11.8.0.04,9.014,19]henicosa-1(13),4,6,8,10,14,16,18-octaen-21-one

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C(O[C@@H](C(C1OC(=O)C)OC(=O)C)Br)CF

DOS

IR

Vibrations