Geometry & MOs

Info

ID:	149449
PubChem CID:	53789122
Reduced:	F2N2O5C26H26 (1)
Stoich.:	A2B2C5D26E26 (1)
Weight, g/mol:	403.235873
ΔH_f, kcal/mol:	-222.36
Dipole, Da:	3.19
IP(EA), eV:	-8.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-(3-cyclohexyl-3-oxoprop-1-enyl)-5-methoxypyridin-4-yl]oxyhexanoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C(C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)N)O)(F)F

DOS

IR

Vibrations