Geometry & MOs

Info

ID:	212621
PubChem CID:	81061246
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	289.078203
ΔH_f, kcal/mol:	29.72
Dipole, Da:	6.45
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations