Geometry & MOs

Info

ID:	227751
PubChem CID:	87562383
Reduced:	SO3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	287.02694
ΔH_f, kcal/mol:	-76.32
Dipole, Da:	4.16
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 6-bromo-2-(methylamino)pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

C1C2C=CC1C(C2C=O)(C=O)SCCO

DOS

IR

Vibrations