Geometry & MOs

Info

ID:	260254
PubChem CID:	103186666
Reduced:	ClFN3O3H9C12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	229.061804
ΔH_f, kcal/mol:	-97.43
Dipole, Da:	6.34
IP(EA), eV:	-10.62(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(1-methoxypropan-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)C2=CC(=CC(=C2)F)C(=O)O)Cl

DOS

IR

Vibrations