Geometry & MOs

Info

ID:	38805
PubChem CID:	8137953
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-140.28
Dipole, Da:	6.25
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-butoxybenzoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations