Geometry & MOs

Info

ID:	315194
PubChem CID:	126624871
Reduced:	N3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	394.134064
ΔH_f, kcal/mol:	122.82
Dipole, Da:	0.95
IP(EA), eV:	-9.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-propan-2-yl-6-[6-(trifluoromethyl)pyridin-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C[C@H](C1CC1)NC2=NC(=NC(=N2)C3=CC=CC=N3)/N=C(\C)/C4CC4

DOS

IR

Vibrations