Geometry & MOs

Info

ID:	289639
PubChem CID:	104362477
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	2.38
IP(EA), eV:	-8.75(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1,5-dimethylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC(CC(C1)(CC2=CC(=CC3=C2OCC3)Br)O)N

DOS

IR

Vibrations