Geometry & MOs

Info

ID:	275757
PubChem CID:	103817434
Reduced:	OF3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	276.169859
ΔH_f, kcal/mol:	-147.11
Dipole, Da:	3.11
IP(EA), eV:	-9.1(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxypyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)NCC2=CC(=CC=C2)C(F)(F)F)N

DOS

IR

Vibrations