Geometry & MOs

Info

ID:	82285
PubChem CID:	49855848
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-15.33
Dipole, Da:	2.72
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC2=C(N=C(N=C2OC1)C3=CN=C(C=C3)N)N4[C@@H]5CC[C@H]4COC5

DOS

IR

Vibrations