Geometry & MOs

Info

ID:	232452
PubChem CID:	87576214
Reduced:	NCl2O2C4H11 (1)
Stoich.:	AB2C2D4E11 (1)
Weight, g/mol:	371.01485
ΔH_f, kcal/mol:	-170.98
Dipole, Da:	2.86
IP(EA), eV:	-10.58(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-chloro-4-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCOC(=O)N.Cl.Cl

DOS

IR

Vibrations