Geometry & MOs

Info

ID:	310095
PubChem CID:	126574277
Reduced:	BrN2O3C25H39 (1)
Stoich.:	AB2C3D25E39 (1)
Weight, g/mol:	422.12051
ΔH_f, kcal/mol:	-175.27
Dipole, Da:	4.3
IP(EA), eV:	-8.66(-0.23)
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-bromo-2,6-dimethylpyridin-3-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CCC3(C2)CCCCC3)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations