Geometry & MOs

Info

ID:	329076
PubChem CID:	126731090
Reduced:	OF3N6C18H23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	309.032334
ΔH_f, kcal/mol:	-101.33
Dipole, Da:	2.97
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dichlorophenyl)-2,5,6-trimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)N1C(=CC(=N1)C2=CC(=C(N=C2)N)C(F)(F)F)C3CCN(C3)C4COC4

DOS

IR

Vibrations