Geometry & MOs

Info

ID:	392904
PubChem CID:	135018409
Reduced:	SiF2O5C18H32 (1)
Stoich.:	AB2C5D18E32 (1)
Weight, g/mol:	368.072128
ΔH_f, kcal/mol:	-395.67
Dipole, Da:	3.45
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-bis[(4-chlorophenyl)methyl]benzotriazol-3-ium

Drug info:

PubChemData

Smile

CCCC[C@@H]([C@H]([C@@H]([C@H]1C(C=CC(=O)O1)(F)F)O)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations