Geometry & MOs

Info

ID:	128468
PubChem CID:	51045582
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	325.095023
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	6.09
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CC=C2)N/C=C/C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations