Geometry & MOs

Info

ID:	441774
PubChem CID:	135244256
Reduced:	N3O4C36H49 (1)
Stoich.:	A3B4C36D49 (1)
Weight, g/mol:	159.025105
ΔH_f, kcal/mol:	-176.06
Dipole, Da:	4.94
IP(EA), eV:	-8.71(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(fluoromethyl)-5-methylpyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCCN1CCC23C4CCC2(C1CC5=C3C=C(C=C5)O)CCC4N(C)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations