Geometry & MOs

Info

ID:	382805
PubChem CID:	134974166
Reduced:	O3H16C20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	449.280418
ΔH_f, kcal/mol:	-63.58
Dipole, Da:	0.39
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-ethoxy-5-ethyl-4-methoxy-3-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]hexan-1-ol

Drug info:

PubChemData

Smile

COC(=O)CC1C2=C(C=CC3=CC=CC=C32)C4=CC=CC=C4O1

DOS

IR

Vibrations