Geometry & MOs

Info

ID:	51767
PubChem CID:	12014502
Reduced:	OBr2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	205.18305
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	1.78
IP(EA), eV:	-9.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5R)-4,7-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)CBr)OCC2=CC=C(C=C2)COC3=C(C=C(C=C3CBr)C)CBr)CBr

DOS

IR

Vibrations