Geometry & MOs

Info

ID:	372569
PubChem CID:	131299912
Reduced:	F2O3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	200.986053
ΔH_f, kcal/mol:	-201.08
Dipole, Da:	3.58
IP(EA), eV:	-10.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichloropyrimidin-5-yl)propanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1F)CO)F

DOS

IR

Vibrations