Geometry & MOs

Info

ID:	263929
PubChem CID:	103408073
Reduced:	BrClOSN2C13H16 (1)
Stoich.:	ABCDE2F13G16 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	2.57
IP(EA), eV:	-8.91(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(C2=C(C(=CS2)C)Cl)O)C

DOS

IR

Vibrations