Geometry & MOs

Info

ID:	158121
PubChem CID:	56463017
Reduced:	ClO2F3N3H19C22 (1)
Stoich.:	AB2C3D3E19F22 (1)
Weight, g/mol:	495.167332
ΔH_f, kcal/mol:	-145.44
Dipole, Da:	6.54
IP(EA), eV:	-9.82(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-ylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(CC1=NN=C(O1)C2=CC=CC=C2Cl)C(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F

DOS

IR

Vibrations