Geometry & MOs

Info

ID:	52148
PubChem CID:	12014939
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	5.24
IP(EA), eV:	-10.75(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[hydroxy(phenyl)methyl]-2-methyldec-3-enenitrile

Drug info:

PubChemData

Smile

CCCCCC[C@@H]1CC(=O)O[C@H]1CCC

DOS

IR

Vibrations