Geometry & MOs

Info

ID:	212516
PubChem CID:	81060777
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	275.062553
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	2.95
IP(EA), eV:	-9.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCCCC1OC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations