Geometry & MOs

Info

ID:	372824
PubChem CID:	131305514
Reduced:	BrNSO2H4C10 (1)
Stoich.:	ABCD2E4F10 (1)
Weight, g/mol:	250.98066
ΔH_f, kcal/mol:	-4.45
Dipole, Da:	6.73
IP(EA), eV:	-9.65(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-bromoimidazo[1,2-c]pyrimidin-2-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)C#N)C(=C1C(=O)O)Br

DOS

IR

Vibrations