Geometry & MOs

Info

ID:	137563
PubChem CID:	52228705
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-150.38
Dipole, Da:	5.11
IP(EA), eV:	-8.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1,3-benzodioxol-5-yl)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations