Geometry & MOs

Info

ID:	157555
PubChem CID:	56435678
Reduced:	O3N5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	405.141259
ΔH_f, kcal/mol:	20.39
Dipole, Da:	2.72
IP(EA), eV:	-9.45(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NCCCC4=NC(=NO4)C

DOS

IR

Vibrations