Geometry & MOs

Info

ID:	306133
PubChem CID:	125001707
Reduced:	FN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-98.15
Dipole, Da:	7.03
IP(EA), eV:	-9.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1C(=O)CC2=CC=C(C=C2)F)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations