Geometry & MOs

Info

ID:	350726
PubChem CID:	127279014
Reduced:	BrNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-28.47
Dipole, Da:	4.66
IP(EA), eV:	-9.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC(=CS2)Br)C

DOS

IR

Vibrations