Geometry & MOs

Info

ID:	422271
PubChem CID:	135117538
Reduced:	N4O6C31H38 (1)
Stoich.:	A4B6C31D38 (1)
Weight, g/mol:	250.134223
ΔH_f, kcal/mol:	-189.86
Dipole, Da:	7.73
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C5CCN(CC5)C(=O)C6CCC6

DOS

IR

Vibrations