Geometry & MOs

Info

ID:	126976
PubChem CID:	50986417
Reduced:	NF3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-313.95
Dipole, Da:	2.99
IP(EA), eV:	-9.89(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3,7-diazabicyclo[4.2.0]octane-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC1CC2(C(F)(F)F)O

DOS

IR

Vibrations