Geometry & MOs

Info

ID:	165938
PubChem CID:	74617111
Reduced:	FN2O4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	470.13253
ΔH_f, kcal/mol:	-168.7
Dipole, Da:	3.81
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(C)CCOC1=CC=C(C=C1)F)NC(=O)C2=CC=CO2

DOS

IR

Vibrations