Geometry & MOs

Info

ID:	198333
PubChem CID:	79089360
Reduced:	IN4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	342.10552
ΔH_f, kcal/mol:	32.0
Dipole, Da:	3.52
IP(EA), eV:	-8.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-ethyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(C(=NC(=N1)CN(C)C)NC)I

DOS

IR

Vibrations