Geometry & MOs

Info

ID:	436616
PubChem CID:	135206157
Reduced:	N3O4C29H43 (1)
Stoich.:	A3B4C29D43 (1)
Weight, g/mol:	265.06697
ΔH_f, kcal/mol:	-177.46
Dipole, Da:	7.28
IP(EA), eV:	-8.61(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[2-(4-fluorophenyl)ethoxy]-4-methylpyridine

Drug info:

PubChemData

Smile

CCCCCOC1=NC=C(C=C1)C2=CN=C(C(=C2N3CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations