Geometry & MOs

Info

ID:	341509
PubChem CID:	127264202
Reduced:	BrClNC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	3.22
IP(EA), eV:	-9.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate

Drug info:

PubChemData

Smile

CC1(C2=C(CN1)C=CC(=C2)Br)C.Cl

DOS

IR

Vibrations