Geometry & MOs

Info

ID:	161623
PubChem CID:	57392169
Reduced:	BrN2O5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	348.03208
ΔH_f, kcal/mol:	-136.24
Dipole, Da:	2.44
IP(EA), eV:	-9.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-9-methyl-1-oxa-2-aza-9-azoniaspiro[4.5]dec-2-ene;(E)-4-hydroxy-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

C1C[NH+]2CCC1C3(C2)CC(=NO3)Br.C(=C/C(=O)[O-])\C(=O)O

DOS

IR

Vibrations