Geometry & MOs

Info

ID:	222037
PubChem CID:	85293544
Reduced:	N3O6C26H35 (1)
Stoich.:	A3B6C26D35 (1)
Weight, g/mol:	485.196901
ΔH_f, kcal/mol:	-149.44
Dipole, Da:	4.97
IP(EA), eV:	-9.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-chloro-4-phenylmethoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COCCCCCN=[N+]=[N-])O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations