Geometry & MOs

Info

ID:	341972
PubChem CID:	127264665
Reduced:	O8N13C47H69 (1)
Stoich.:	A8B13C47D69 (1)
Weight, g/mol:	212.028332
ΔH_f, kcal/mol:	-284.66
Dipole, Da:	6.33
IP(EA), eV:	-8.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(6-fluoropyridin-2-yl)ethanamine;dihydrochloride

Drug info:

Smile

C[C@@H](C(C(=O)[C@@H](CC1=CNC2=CC=CC=C21)C(C(=O)[C@@H](CC3=CN=CN3)C(C(=O)C)N)N)N)C(=O)C([C@H](C(C)C)C(=O)C(CC(=O)C([C@H](CC4=CN=CN4)C(=O)N[C@@H](CC(C)C)C(=O)N)N)N)N

DOS

IR

Vibrations