Geometry & MOs

Info

ID:	121764
PubChem CID:	50780628
Reduced:	O4N5C26H27 (1)
Stoich.:	A4B5C26D27 (1)
Weight, g/mol:	419.114903
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	6.19
IP(EA), eV:	-8.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)C4=NOC(=N4)C5CCCC5

DOS

IR

Vibrations