Geometry & MOs

Info

ID:	160295
PubChem CID:	57309642
Reduced:	SN2O5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	351.256215
ΔH_f, kcal/mol:	-154.99
Dipole, Da:	2.49
IP(EA), eV:	-9.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine

Drug info:

PubChemData

Smile

CC(=O)OCC1=NC=CC(=C1)C[C@@H]2C[C@@H](CN2C(=O)OCC=C)SC(=O)C3=CC=CC=C3

DOS

IR

Vibrations