Geometry & MOs

Info

ID:	381246
PubChem CID:	134971920
Reduced:	NS2O5C12H21 (1)
Stoich.:	AB2C5D12E21 (1)
Weight, g/mol:	198.198365
ΔH_f, kcal/mol:	-212.45
Dipole, Da:	7.52
IP(EA), eV:	-8.82(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3R)-3-ethylundec-4-en-1-ol

Drug info:

PubChemData

Smile

CC1(N([C@@H](CS1)[C@@H](/C=C/C(=O)OC)OS(=O)(=O)C)C)C

DOS

IR

Vibrations