Geometry & MOs

Info

ID:	399887
PubChem CID:	135043487
Reduced:	OBr2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	23.1
Dipole, Da:	3.38
IP(EA), eV:	-9.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5R)-7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

COC(/C=C(\C1=CC=CC=C1)/Br)C2=CC=C(C=C2)Br

DOS

IR

Vibrations