Geometry & MOs

Info

ID:	311289
PubChem CID:	126590254
Reduced:	FN2O3C33H39 (1)
Stoich.:	AB2C3D33E39 (1)
Weight, g/mol:	560.305036
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	4.57
IP(EA), eV:	-8.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethyl-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridin-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)N4CCC5(C4)CCCCCC5)CC(=O)O

DOS

IR

Vibrations