Geometry & MOs

Info

ID:	357415
PubChem CID:	127294048
Reduced:	FON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	7.4
Dipole, Da:	8.44
IP(EA), eV:	-9.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylmorpholine-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)N4CCCC4C5=CC=NC=C5)F

DOS

IR

Vibrations