Geometry & MOs

Info

ID:	287334
PubChem CID:	104237629
Reduced:	ClNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	231.08262
ΔH_f, kcal/mol:	-6.91
Dipole, Da:	2.88
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-chloro-4-(3-fluoropropoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCCSC2=CC=CC=C2)Cl)N

DOS

IR

Vibrations