Geometry & MOs

Info

ID:	228284
PubChem CID:	87563806
Reduced:	OCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	331.05315
ΔH_f, kcal/mol:	4.68
Dipole, Da:	3.2
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-butyl-2-(2-methoxyethylamino)pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC(C1=CC=CC=C1)O)C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations