Geometry & MOs

Info

ID:	163845
PubChem CID:	74380538
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	425.158685
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	5.72
IP(EA), eV:	-8.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl 4-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)C=CC(=O)NO)C(=O)OCC3=CC=CS3

DOS

IR

Vibrations