Geometry & MOs

Info

ID:	227635
PubChem CID:	87562138
Reduced:	BrNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	197.114021
ΔH_f, kcal/mol:	-99.48
Dipole, Da:	6.19
IP(EA), eV:	-9.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1,1,2,3-tetramethylguanidine;acetate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCC(=O)O)Br

DOS

IR

Vibrations