Geometry & MOs

Info

ID:	374129
PubChem CID:	131324030
Reduced:	SN2O3H4C10 (1)
Stoich.:	AB2C3D4E10 (1)
Weight, g/mol:	258.99564
ΔH_f, kcal/mol:	52.32
Dipole, Da:	8.8
IP(EA), eV:	-9.87(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-6-(dimethylamino)pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1[N+](=O)[O-])C(=CS2)C#N)C=O

DOS

IR

Vibrations