Geometry & MOs

Info

ID:	246354
PubChem CID:	103059357
Reduced:	ClFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-25.64
Dipole, Da:	4.95
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=CN=C(C=N2)N)F)Cl

DOS

IR

Vibrations