Geometry & MOs

Info

ID:	155385
PubChem CID:	56353018
Reduced:	Cl2N2O3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	-90.54
Dipole, Da:	0.76
IP(EA), eV:	-9.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)Cl)Cl)NC(=O)/C=C/C2=CC=C(C=C2)OCC(=O)N

DOS

IR

Vibrations