Geometry & MOs

Info

ID:	311207
PubChem CID:	126589910
Reduced:	F2N2O3C31H34 (1)
Stoich.:	A2B2C3D31E34 (1)
Weight, g/mol:	553.330442
ΔH_f, kcal/mol:	-165.59
Dipole, Da:	3.5
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(2-azaspiro[4.5]decan-2-yl)-5-[4-(benzylcarbamoyl)phenyl]-2,6-dimethylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CF)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5(CCC5)CC4)CC(=O)O

DOS

IR

Vibrations