Geometry & MOs

Info

ID:	423165
PubChem CID:	135119039
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	281.111045
ΔH_f, kcal/mol:	49.51
Dipole, Da:	6.71
IP(EA), eV:	-8.84(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NC=N2)N3C[C@H]([C@@H](C3)O)CC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations