Geometry & MOs

Info

ID:	145640
PubChem CID:	53563328
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	313.099731
ΔH_f, kcal/mol:	58.16
Dipole, Da:	3.96
IP(EA), eV:	-9.24(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]thiadiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=NN=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations