Geometry & MOs

Info

ID:	297550
PubChem CID:	117621071
Reduced:	ClFN2O3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	324.067698
ΔH_f, kcal/mol:	-115.82
Dipole, Da:	4.52
IP(EA), eV:	-9.08(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CN=C2OC3CCC3)Cl)F

DOS

IR

Vibrations