Geometry & MOs

Info

ID:	146450
PubChem CID:	53691472
Reduced:	BrCl2N2O2C14H15 (1)
Stoich.:	AB2C2D2E14F15 (1)
Weight, g/mol:	283.193614
ΔH_f, kcal/mol:	-80.22
Dipole, Da:	5.32
IP(EA), eV:	-9.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-propoxyphenyl)ethyl]-2-propylpyridine

Drug info:

PubChemData

Smile

C1C(CC(C1CO)CO)N2C3=CC(=C(C=C3N=C2Br)Cl)Cl

DOS

IR

Vibrations