Geometry & MOs

Info

ID:	210417
PubChem CID:	80803678
Reduced:	F4N4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	257.140723
ΔH_f, kcal/mol:	-122.47
Dipole, Da:	2.54
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-ethyl-2-N-(2-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)NC2=CC(=C(C=C2F)F)F)F

DOS

IR

Vibrations