Geometry & MOs

Info

ID:	59716
PubChem CID:	24894696
Reduced:	BrNO3C31H42 (1)
Stoich.:	ABC3D31E42 (1)
Weight, g/mol:	348.212071
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	21.44
IP(EA), eV:	-6.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-ethyl-4-hydroxyhexanoate

Drug info:

PubChemData

Smile

C[N+]1(CC2CC[C@H]1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)CCCC5=CC=CC=C5.[Br-]

DOS

IR

Vibrations