Geometry & MOs

Info

ID:	337931
PubChem CID:	127258554
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	417.183749
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	2.77
IP(EA), eV:	-8.88(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichloropyridin-3-yl)oxydodecyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1=CC(=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations