Geometry & MOs

Info

ID:	56397
PubChem CID:	17425316
Reduced:	N3O5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-93.68
Dipole, Da:	3.79
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=NO2)C)OC

DOS

IR

Vibrations