Geometry & MOs

Info

ID:	310086
PubChem CID:	126574131
Reduced:	BrN3O5C25H36 (1)
Stoich.:	AB3C5D25E36 (1)
Weight, g/mol:	494.21441
ΔH_f, kcal/mol:	-236.01
Dipole, Da:	4.06
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(8-azaspiro[4.5]decan-8-yl)-5-bromo-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CCC3(CC2)CCN(C3)C(=O)OC(C)(C)C)C(=O)C(=O)OC(C)C

DOS

IR

Vibrations