Geometry & MOs

Info

ID:	310085
PubChem CID:	126574079
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	537.18383
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	3.81
IP(EA), eV:	-8.92(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-[3-bromo-2,6-dimethyl-5-(2-oxo-2-propan-2-yloxyacetyl)pyridin-4-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)N1CC2CN(CC2C1)CC3=CC=CC=C3

DOS

IR

Vibrations