Geometry & MOs

Info

ID:	299347
PubChem CID:	117682710
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	44.54
Dipole, Da:	1.84
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-methyl-6-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2C[C@@H]3C[C@H]2CO3)C4=CN=C(N=C4)N

DOS

IR

Vibrations