Geometry & MOs

Info

ID:	64695
PubChem CID:	29203868
Reduced:	ClFON4C22H22 (1)
Stoich.:	ABCD4E22F22 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-2.03
Dipole, Da:	5.93
IP(EA), eV:	-8.37(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-butoxypropyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N2CCN(CC2)C3=CC=CC=C3F)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations