Geometry & MOs

Info

ID:	264748
PubChem CID:	103488223
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-106.9
Dipole, Da:	6.01
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethoxypropan-2-yloxy)butanenitrile

Drug info:

PubChemData

Smile

C1COCC1NC2=NC(=CS2)CCC(=O)O

DOS

IR

Vibrations