Geometry & MOs

Info

ID:	212342
PubChem CID:	81060214
Reduced:	OCl2N2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	186.079313
ΔH_f, kcal/mol:	22.8
Dipole, Da:	2.34
IP(EA), eV:	-9.78(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-prop-2-ynoxypyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations