Geometry & MOs

Info

ID:	137562
PubChem CID:	52228537
Reduced:	F2N2O2C17H18 (1)
Stoich.:	A2B2C2D17E18 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-160.05
Dipole, Da:	5.18
IP(EA), eV:	-8.65(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N[C@H](C)C2=CC(=CC=C2)OC(F)F

DOS

IR

Vibrations