Geometry & MOs

Info

ID:	323327
PubChem CID:	126674173
Reduced:	SF3N6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	333.146871
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	7.32
IP(EA), eV:	-8.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2CC3CCC(C2)C3NC4=NN5CCCC(C5=N4)C6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations