Geometry & MOs

Info

ID:	195936
PubChem CID:	78751308
Reduced:	NF2O6H17C20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	413.147452
ΔH_f, kcal/mol:	-261.95
Dipole, Da:	7.18
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethoxyanilino)-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=C(C=CC=C3F)F

DOS

IR

Vibrations