Geometry & MOs

Info

ID:	39628
PubChem CID:	8141689
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	308.079707
ΔH_f, kcal/mol:	-150.82
Dipole, Da:	3.51
IP(EA), eV:	-9.38(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl 4-pyrazol-1-ylbenzoate

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)OC3=CC=CC=C3

DOS

IR

Vibrations