Geometry & MOs

Info

ID:	210029
PubChem CID:	80752472
Reduced:	ClON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	307.0087
ΔH_f, kcal/mol:	-27.35
Dipole, Da:	1.65
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-5-chloro-2-methoxy-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC(CC1=NC(=NC=C1Cl)OC)NC

DOS

IR

Vibrations