Geometry & MOs

Info

ID:	210171
PubChem CID:	80769198
Reduced:	F2O2N4H12C13 (1)
Stoich.:	A2B2C4D12E13 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	6.92
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-tert-butyl-5-methyl-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=N1)NC2=CC3=C(C=C2)OC(O3)(F)F

DOS

IR

Vibrations