Geometry & MOs

Info

ID:	195791
PubChem CID:	78732383
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	409.127385
ΔH_f, kcal/mol:	-159.05
Dipole, Da:	3.69
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC=C(O1)C=CC(=O)NC2=CC(=CC=C2)N3CCCC3=O

DOS

IR

Vibrations