Geometry & MOs

Info

ID:	56374
PubChem CID:	17425230
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	359.111735
ΔH_f, kcal/mol:	-77.67
Dipole, Da:	3.32
IP(EA), eV:	-8.53(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCN2CC(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations