Geometry & MOs

Info

ID:	382792
PubChem CID:	134974142
Reduced:	BrSiO3C34H47 (1)
Stoich.:	ABC3D34E47 (1)
Weight, g/mol:	414.14057
ΔH_f, kcal/mol:	-153.76
Dipole, Da:	0.91
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(bromomethyl)-2-ethoxy-5-ethyl-4-methoxyphenyl]hexyl acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)CBr)OCC)C(CC)CCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations