Geometry & MOs

Info

ID:	137132
PubChem CID:	52156377
Reduced:	FNO2C12H12 (2)
Stoich.:	ABC2D12E12 (2)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-184.26
Dipole, Da:	7.15
IP(EA), eV:	-8.87(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=C2[C@H](N(C(=O)C2=O)CCN3CCCC3)C4=CC=CC=C4F)O)F

DOS

IR

Vibrations