Geometry & MOs

Info

ID:	272501
PubChem CID:	103744011
Reduced:	O4N5C12H13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	295.083602
ΔH_f, kcal/mol:	-7.47
Dipole, Da:	4.56
IP(EA), eV:	-9.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)NCCC2=NC=NO2)[N+](=O)[O-]

DOS

IR

Vibrations