Geometry & MOs

Info

ID:	313531
PubChem CID:	126615432
Reduced:	NF2O4H31C33 (1)
Stoich.:	AB2C4D31E33 (1)
Weight, g/mol:	621.269065
ΔH_f, kcal/mol:	-200.66
Dipole, Da:	8.33
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4,5-bis[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C2CCCOC2=C(C=C1C3=C(C(=NC(=C3CC(=O)O)C)C)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F)F

DOS

IR

Vibrations