Geometry & MOs

Info

ID:	30488
PubChem CID:	841406
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	5.33
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2CCCCC2

DOS

IR

Vibrations