Geometry & MOs

Info

ID:	202124
PubChem CID:	79632559
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	315.00968
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	2.66
IP(EA), eV:	-9.73(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC(CC1O)OCC2CCOCC2

DOS

IR

Vibrations