Geometry & MOs

Info

ID:	283035
PubChem CID:	103954564
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	309.093185
ΔH_f, kcal/mol:	47.43
Dipole, Da:	1.31
IP(EA), eV:	-9.03(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CN[C@H](C)C2=CC=CS2

DOS

IR

Vibrations