Geometry & MOs

Info

ID:	299714
PubChem CID:	117688794
Reduced:	FON7C20H28 (1)
Stoich.:	ABC7D20E28 (1)
Weight, g/mol:	347.155767
ΔH_f, kcal/mol:	4.93
Dipole, Da:	2.98
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(azetidin-1-yl)-2-cyclobutylpyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

CC[C@H](C)N(C[C@H](C)O)C1=NC(=NC(=C1F)C2=CN=C(N=C2)N)N3CC4CC3C4

DOS

IR

Vibrations