Geometry & MOs

Info

ID:	309446
PubChem CID:	126546333
Reduced:	ClON4C15H16 (2)
Stoich.:	ABC4D15E16 (2)
Weight, g/mol:	379.192072
ΔH_f, kcal/mol:	47.78
Dipole, Da:	5.2
IP(EA), eV:	-8.48(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[1-(3-fluoropyridin-2-yl)-3-methylcyclobutyl]methylamino]pyrimidin-5-yl]-5-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1CCN2[C@H](C1)C(=O)NCCCCC[C@@H](C3=CC2=CC=C3)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations