Geometry & MOs

Info

ID:	185452
PubChem CID:	77301577
Reduced:	NO2C17H20 (2)
Stoich.:	AB2C17D20 (2)
Weight, g/mol:	244.158706
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	5.33
IP(EA), eV:	-8.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C=CCC1=CC=C(C=C1)C(=O)CC=CCCC(=O)O)C2=CN(N=C2C3CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations