Geometry & MOs

Info

ID:	226988
PubChem CID:	87559431
Reduced:	SiZrCl2H25C29 (1)
Stoich.:	ABC2D25E29 (1)
Weight, g/mol:	239.147449
ΔH_f, kcal/mol:	20.68
Dipole, Da:	5.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772600
Charge, e:	0

Chem-info

IUPAC name:

10-amino-9-methyldecane-1-thiol;hydrochloride

Drug info:

PubChemData

Smile

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

DOS

IR

Vibrations