Geometry & MOs

Info

ID:	210568
PubChem CID:	80823808
Reduced:	ClFN5C12H13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	7.2
Dipole, Da:	4.75
IP(EA), eV:	-9.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-ethyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)F)NC2=NC(=NC(=N2)N)Cl

DOS

IR

Vibrations