Geometry & MOs

Info

ID:	374305
PubChem CID:	131326401
Reduced:	BrNS2H4C9 (1)
Stoich.:	ABC2D4E9 (1)
Weight, g/mol:	290.97563
ΔH_f, kcal/mol:	93.71
Dipole, Da:	4.73
IP(EA), eV:	-9.42(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-2-propan-2-yloxypyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=C(C(=CS2)C#N)Br

DOS

IR

Vibrations