Geometry & MOs

Info

ID:	137966
PubChem CID:	52292650
Reduced:	N3O5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	441.206385
ΔH_f, kcal/mol:	-231.8
Dipole, Da:	3.01
IP(EA), eV:	-9.01(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC(=O)N2CCC[C@@H](C2)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations