Geometry & MOs

Info

ID:	311255
PubChem CID:	126590072
Reduced:	FN2O3C35H43 (1)
Stoich.:	AB2C3D35E43 (1)
Weight, g/mol:	544.310121
ΔH_f, kcal/mol:	-157.93
Dipole, Da:	2.96
IP(EA), eV:	-8.49(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(2-azaspiro[4.4]nonan-2-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5CCCC[C@@H]5C4)CC(=O)OC(C)C

DOS

IR

Vibrations