Geometry & MOs

Info

ID:	396592
PubChem CID:	135028810
Reduced:	BrNO4H8C15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	404.194737
ΔH_f, kcal/mol:	4.36
Dipole, Da:	7.24
IP(EA), eV:	-9.79(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-benzyl 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5,7-tricarboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/2\C(=O)C3=C(O2)C=CC(=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations