Geometry & MOs

Info

ID:	315188
PubChem CID:	126624832
Reduced:	PSO2F3N7C23H23 (1)
Stoich.:	ABC2D3E7F23G23 (1)
Weight, g/mol:	392.193629
ΔH_f, kcal/mol:	-127.77
Dipole, Da:	6.42
IP(EA), eV:	-8.42(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-N-bis(3-methylbut-1-en-2-yl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CPN1C2=NC=CC(=C2C(=N1)N[C@@H]3CCCNC3)OC4=CC=C(C=C4)C(=O)NC5=NC=C(S5)C(F)(F)F

DOS

IR

Vibrations