Geometry & MOs

Info

ID:	198899
PubChem CID:	79169557
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	224.071641
ΔH_f, kcal/mol:	-129.04
Dipole, Da:	13.22
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)-6-methylpyridin-3-yl]oxybutanenitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OC(C)C(=O)N(C)C)C=CC(=O)O

DOS

IR

Vibrations