Geometry & MOs

Info

ID:	47969
PubChem CID:	10536076
Reduced:	FNH12C13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	79.57
Dipole, Da:	7.34
IP(EA), eV:	-7.51(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=[C]1)C)[N+]2=CC=CC(=C2)F

DOS

IR

Vibrations