Geometry & MOs

Info

ID:	269956
PubChem CID:	103621225
Reduced:	BrSN2O4H9C12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	4.11
IP(EA), eV:	-9.59(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCC2=CC(=CS2)Br)O)[N+](=O)[O-]

DOS

IR

Vibrations