Geometry & MOs

Info

ID:	371932
PubChem CID:	131280750
Reduced:	ON3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	234.030839
ΔH_f, kcal/mol:	-14.58
Dipole, Da:	3.18
IP(EA), eV:	-7.87(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-chloro-2-(1,3-oxazol-4-yl)pyrimidin-5-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(=O)N1CCNC2=CNC=C21

DOS

IR

Vibrations