Geometry & MOs

Info

ID:	160390
PubChem CID:	57309738
Reduced:	ON2C22H33 (1)
Stoich.:	AB2C22D33 (1)
Weight, g/mol:	464.01734
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	4.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.828344
Charge, e:	0

Chem-info

IUPAC name:

4-[1-bromo-2-[2-bromo-2-(2,3-dihydro-1H-inden-4-yl)ethoxy]ethyl]-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CCC[N+]1(C(=CC(=C1C)CCCN)C)C2CCC3=C(C2)C=CC=C3O

DOS

IR

Vibrations