Geometry & MOs

Info

ID:	51553
PubChem CID:	12014243
Reduced:	NC11H19 (1)
Stoich.:	AB11C19 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	0.86
Dipole, Da:	4.0
IP(EA), eV:	-10.17(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[(E)-2-(2-methoxyethoxy)ethenyl]-1-phenyloctan-1-ol

Drug info:

PubChemData

Smile

CCCCCC/C=C/C(C)C#N

DOS

IR

Vibrations