Geometry & MOs

Info

ID:	294325
PubChem CID:	117453081
Reduced:	BrON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	281.04153
ΔH_f, kcal/mol:	19.45
Dipole, Da:	2.58
IP(EA), eV:	-8.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-pyrrolidin-2-yl-2,3-dihydro-1H-inden-5-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC)Br)C2=CC(=NN2)N

DOS

IR

Vibrations