Geometry & MOs

Info

ID:	121765
PubChem CID:	50780629
Reduced:	ClO2N5H18C22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	419.114903
ΔH_f, kcal/mol:	78.63
Dipole, Da:	7.95
IP(EA), eV:	-9.06(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-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(=CC=C2)Cl)C3=CC=C(C=C3)C4=NOC(=N4)C5CC5

DOS

IR

Vibrations