Geometry & MOs

Info

ID:	327693
PubChem CID:	126690758
Reduced:	FNCl2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	248.047631
ΔH_f, kcal/mol:	-31.91
Dipole, Da:	3.92
IP(EA), eV:	-9.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-5-fluoro-1,4-dihydropyrimidin-6-yl)amino]-2-methyl-N-oxopropanamide

Drug info:

PubChemData

Smile

CCC/C(=C(\C=N/C(=C)Cl)/F)/Cl

DOS

IR

Vibrations