Geometry & MOs

Info

ID:	197203
PubChem CID:	78936998
Reduced:	BrClFNOH14C15 (1)
Stoich.:	ABCDEF14G15 (1)
Weight, g/mol:	255.138992
ΔH_f, kcal/mol:	-54.85
Dipole, Da:	3.07
IP(EA), eV:	-9.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations