Geometry & MOs

Info

ID:	372151
PubChem CID:	131293869
Reduced:	ClNF3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	216.106277
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	0.91
IP(EA), eV:	-9.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(7-fluoroquinolin-2-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

C=C[C@H](C1=CC(=C(C(=C1)Cl)F)C(F)F)N

DOS

IR

Vibrations