Geometry & MOs

Info

ID:	389262
PubChem CID:	134991900
Reduced:	ZrCl2H20C27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	209.123821
ΔH_f, kcal/mol:	278.24
Dipole, Da:	3.4
IP(EA), eV:	-6.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-methylsulfanyl-1-phenylethyl]propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)([C]3[CH][CH][CH][CH]3)[C]4[CH][CH][C]5[C]4C=CC=C5.Cl[Zr]Cl

DOS

IR

Vibrations