Geometry & MOs

Info

ID:	46323
PubChem CID:	10523883
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	2.61
IP(EA), eV:	-8.27(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)-3,4-dihydro-2H-pyrrole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=CC3=C(C=C2O[C@H]1N4CCCC4)OCO3)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations