Geometry & MOs

Info

ID:	447391
PubChem CID:	135282550
Reduced:	N4O5C28H42 (1)
Stoich.:	A4B5C28D42 (1)
Weight, g/mol:	222.096855
ΔH_f, kcal/mol:	-205.38
Dipole, Da:	5.9
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-(fluoromethyl)-2-methyl-2-pyridin-4-yl-1H-pyridine

Drug info:

PubChemData

Smile

C[C@@H](C[C@@](C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)N(C)C(=O)O)CN(C)C)C(=O)OC(C)(C)C)CN

DOS

IR

Vibrations