Geometry & MOs

Info

ID:	127807
PubChem CID:	51016303
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	264.09102
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	1.61
IP(EA), eV:	-9.16(3.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-3-(2-fluoro-4-nitrophenyl)-7-methyl-3-azabicyclo[3.1.1]heptan-6-one

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C1)N

DOS

IR

Vibrations