Geometry & MOs

Info

ID:	299346
PubChem CID:	117682708
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	3.89
IP(EA), eV:	-8.82(2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1[C@H]2C1CN(C2)C3COC3

DOS

IR

Vibrations