Geometry & MOs

Info

ID:	210649
PubChem CID:	80834320
Reduced:	ClF3N4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	292.201159
ΔH_f, kcal/mol:	-118.78
Dipole, Da:	4.01
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-diethyl-2-N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)NC2=C(C=C(C=C2)C(F)(F)F)Cl

DOS

IR

Vibrations