Geometry & MOs

Info

ID:	20258
PubChem CID:	582820
Reduced:	NO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	245.126323
ΔH_f, kcal/mol:	-196.85
Dipole, Da:	3.8
IP(EA), eV:	-10.06(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyano-3,4,5-trimethoxypentan-2-yl) acetate

Drug info:

PubChemData

Smile

CC(C(C(C(C#N)OC)OC)OC)OC(=O)C

DOS

IR

Vibrations