Geometry & MOs

Info

ID:	147222
PubChem CID:	53786876
Reduced:	Cl2O3N6H22C27 (1)
Stoich.:	A2B3C6D22E27 (1)
Weight, g/mol:	453.36068
ΔH_f, kcal/mol:	34.01
Dipole, Da:	2.81
IP(EA), eV:	-9.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-decoxyphenyl)pyridin-3-yl]nonan-3-ol

Drug info:

PubChemData

Smile

C1C(C1(C2=CC=CC=C2)C(=O)C3(CC3NC(=O)C4=NC=C(N4)Cl)C5=CC=CC=C5)NC(=O)C6=NC=C(N6)Cl

DOS

IR

Vibrations