Geometry & MOs

Info

ID:	945
PubChem CID:	3563
Reduced:	BrFN2O2H14C17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	376.02227
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	3.07
IP(EA), eV:	-9.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F

DOS

IR

Vibrations