Geometry & MOs

Info

ID:	212545
PubChem CID:	81060912
Reduced:	BrFN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	257.071975
ΔH_f, kcal/mol:	24.84
Dipole, Da:	3.97
IP(EA), eV:	-9.27(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations