Geometry & MOs

Info

ID:	269073
PubChem CID:	103610691
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	296.077262
ΔH_f, kcal/mol:	40.24
Dipole, Da:	2.42
IP(EA), eV:	-8.59(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CNC2=CC=CC=C21)N3C=NC=N3

DOS

IR

Vibrations