Geometry & MOs

Info

ID:	381011
PubChem CID:	134971636
Reduced:	FNH18C21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	26.16
Dipole, Da:	1.71
IP(EA), eV:	-8.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,5S)-9-oxo-7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C=CC(=C2)F)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations