Geometry & MOs

Info

ID:	227651
PubChem CID:	87562165
Reduced:	NO2C4H5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	331.05315
ΔH_f, kcal/mol:	-131.35
Dipole, Da:	3.95
IP(EA), eV:	-10.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(/CNC(C(=O)O)C(=O)O)\C#N

DOS

IR

Vibrations