Geometry & MOs

Info

ID:	422958
PubChem CID:	135118685
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-26.05
Dipole, Da:	1.38
IP(EA), eV:	-8.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[4.4]nonan-2-yl-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)N4C[C@H]([C@@H](C4)O)CC5=NC=CN=C5

DOS

IR

Vibrations