Geometry & MOs

Info

ID:	195938
PubChem CID:	78751310
Reduced:	N2O6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	413.111067
ΔH_f, kcal/mol:	-143.13
Dipole, Da:	7.94
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C=CC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations