Geometry & MOs

Info

ID:	130166
PubChem CID:	51075127
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	335.10929
ΔH_f, kcal/mol:	53.54
Dipole, Da:	12.34
IP(EA), eV:	-9.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)CN2C=NC(=N2)C#N)C

DOS

IR

Vibrations