Geometry & MOs

Info

ID:	310726
PubChem CID:	126584629
Reduced:	FNO5C29H34 (1)
Stoich.:	ABC5D29E34 (1)
Weight, g/mol:	453.170034
ΔH_f, kcal/mol:	-169.9
Dipole, Da:	1.58
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-tert-butyl-6-[6-(1,1-difluoroethyl)pyridin-2-yl]-4-N-[2-(trifluoromethyl)pyridin-4-yl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1CC1)C2=CC(=CC=C2)OCC3=NOC(=C3CC(C)C)C4=C(C=CC(=C4)OC)F

DOS

IR

Vibrations