Geometry & MOs

Info

ID:	287338
PubChem CID:	104237822
Reduced:	ClFON2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	-20.0
Dipole, Da:	5.16
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]butanenitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C#N)F)Cl)N

DOS

IR

Vibrations