Geometry & MOs

Info

ID:	340899
PubChem CID:	127263334
Reduced:	FNCl2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	231.08262
ΔH_f, kcal/mol:	-51.21
Dipole, Da:	4.23
IP(EA), eV:	-9.38(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-(4-ethoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]1N)C2=CC(=C(C=C2)Cl)F.Cl

DOS

IR

Vibrations