Geometry & MOs

Info

ID:	211362
PubChem CID:	80938361
Reduced:	F3N4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	284.200097
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	5.67
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-tert-butylphenyl)-2-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(F)(F)F)N

DOS

IR

Vibrations