Geometry & MOs

Info

ID:	169940
PubChem CID:	75169418
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	515.138066
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	4.18
IP(EA), eV:	-9.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-difluorophenyl)-1-(5-methylpyridin-2-yl)-6-oxo-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C1=NC=CN1C)OC=CC(=O)OC

DOS

IR

Vibrations