Geometry & MOs

Info

ID:	190365
PubChem CID:	77992431
Reduced:	BrNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	354.134635
ΔH_f, kcal/mol:	5.2
Dipole, Da:	2.16
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-(5-chlorofuran-2-carbonyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C2C(O2)C3=CC=C(C=C3)Br)N

DOS

IR

Vibrations