Geometry & MOs

Info

ID:	281191
PubChem CID:	103911335
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	329.0449
ΔH_f, kcal/mol:	32.89
Dipole, Da:	3.79
IP(EA), eV:	-8.7(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1C)NCC3(CCC3)C

DOS

IR

Vibrations