Geometry & MOs

Info

ID:	296988
PubChem CID:	117604932
Reduced:	NO6C14H17 (1)
Stoich.:	AB6C14D17 (1)
Weight, g/mol:	288.066555
ΔH_f, kcal/mol:	-260.64
Dipole, Da:	10.2
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(5-ethoxy-2-methoxypyridin-4-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations