Geometry & MOs

Info

ID:	130068
PubChem CID:	51074833
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	311.028453
ΔH_f, kcal/mol:	-62.75
Dipole, Da:	7.09
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-3-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCC1=NC2=CC=CC=C2N1CCC(=O)NC(=O)N

DOS

IR

Vibrations