Geometry & MOs

Info

ID:	376118
PubChem CID:	134222121
Reduced:	BrF3C21H22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-144.59
Dipole, Da:	3.19
IP(EA), eV:	-9.16(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(4-ethylphenoxy)ethyl]pyridin-3-yl]ethyl pentanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C(/C=C/C2=CC(=C(C=C2)C)Br)C(F)(F)F)C)C

DOS

IR

Vibrations