Geometry & MOs

Info

ID:	210948
PubChem CID:	80876258
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-97.41
Dipole, Da:	1.22
IP(EA), eV:	-9.52(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-propan-2-yl-6-(2-propoxyethoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCOCCOC1=NC(=NC(=N1)OCCC)NC

DOS

IR

Vibrations