Geometry & MOs

Info

ID:	182377
PubChem CID:	76882886
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-88.12
Dipole, Da:	1.38
IP(EA), eV:	-9.05(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[1-(tetrazolidin-5-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=NO)C1=CC(=CC=C1)OCC(C)(C)O

DOS

IR

Vibrations