Geometry & MOs

Info

ID:	121767
PubChem CID:	50780808
Reduced:	SO3N4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	-4.79
Dipole, Da:	2.77
IP(EA), eV:	-8.62(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC=C2N=C1C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations