Geometry & MOs

Info

ID:	372446
PubChem CID:	131297808
Reduced:	FON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	203.08071
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	2.24
IP(EA), eV:	-9.62(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-([1,2]oxazolo[5,4-d]pyrimidin-4-ylamino)butanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=CN=C(O2)CN)F

DOS

IR

Vibrations