Geometry & MOs

Info

ID:	298718
PubChem CID:	117654415
Reduced:	FN2O3C29H29 (1)
Stoich.:	AB2C3D29E29 (1)
Weight, g/mol:	463.199488
ΔH_f, kcal/mol:	-99.19
Dipole, Da:	6.32
IP(EA), eV:	-8.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[4-[[3-(5-methoxy-2-methylpyridin-3-yl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C2=CC=C(C=C2)F)C)C3=C(CC(C3=O)CCNC(=O)C4=CC=CC=N4)OC

DOS

IR

Vibrations