Geometry & MOs

Info

ID:	327698
PubChem CID:	126690767
Reduced:	ClFN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	212.010103
ΔH_f, kcal/mol:	30.01
Dipole, Da:	4.57
IP(EA), eV:	-9.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloropyrimidin-4-yl)imino-N-oxopropanamide

Drug info:

PubChemData

Smile

C/C=C(/CN=C/C(=C(/C)\N=C)/F)\C1=C(N=CC(=C1)Cl)C

DOS

IR

Vibrations