Geometry & MOs

Info

ID:	380066
PubChem CID:	134964841
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	376.12533
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	4.25
IP(EA), eV:	-8.16(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-bromo-4-[tert-butyl(dimethyl)silyl]oxyhept-2-ynyl]-trimethylsilane

Drug info:

PubChemData

Smile

C[C@@H]1C=CC2=CC(=C(C=C2[C@@H]1O)OC)OC

DOS

IR

Vibrations