Geometry & MOs

Info

ID:	299350
PubChem CID:	117682714
Reduced:	N6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	348.10046
ΔH_f, kcal/mol:	72.66
Dipole, Da:	1.29
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-methylsulfonyl-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC(=NC(=C2)C3=CN=C(N=C3)N)N4CCC4

DOS

IR

Vibrations