Geometry & MOs

Info

ID:	341122
PubChem CID:	127263557
Reduced:	ClN2F3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	135.045092
ΔH_f, kcal/mol:	-162.07
Dipole, Da:	6.2
IP(EA), eV:	-8.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminobicyclo[1.1.1]pentan-1-ol;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)NC=C2C(F)(F)F.Cl

DOS

IR

Vibrations