Geometry & MOs

Info

ID:	340320
PubChem CID:	127262331
Reduced:	BrOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	384.288214
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	1.55
IP(EA), eV:	-9.4(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-butylsulfanyl-3-trimethylsilylprop-2-enyl]cyclododecan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC/1CCCCCCC/C=C1/Br

DOS

IR

Vibrations