Geometry & MOs

Info

ID:	195145
PubChem CID:	78643631
Reduced:	ClN2O3H17C24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	402.106316
ΔH_f, kcal/mol:	52.73
Dipole, Da:	5.31
IP(EA), eV:	-8.85(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethoxy]-3-nitrobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C=C2C(=O)N=C3C=CC=CC3=N2)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations