Geometry & MOs

Info

ID:	49936
PubChem CID:	11538258
Reduced:	FON4H19C23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	386.180584
ΔH_f, kcal/mol:	46.03
Dipole, Da:	4.41
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,4S)-2-[6-fluoro-5-(4-fluorophenyl)pyridin-3-yl]-7-azabicyclo[2.2.1]heptane-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C4C(=C3)C=NN4C5=CC=CC=C5

DOS

IR

Vibrations