Geometry & MOs

Info

ID:	311305
PubChem CID:	126590332
Reduced:	NO2C30H33 (1)
Stoich.:	AB2C30D33 (1)
Weight, g/mol:	483.252192
ΔH_f, kcal/mol:	8.18
Dipole, Da:	0.77
IP(EA), eV:	-8.38(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-azaspiro[2.5]octan-6-yl)-5-[4-(benzylcarbamoyl)phenyl]-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(C=C(C=C2C3C=CC4=CC=CC=C4N3OC(C(C(O1)C)C5=CC=CC=C5)C)C)C

DOS

IR

Vibrations