Geometry & MOs

Info

ID:	280034
PubChem CID:	103846489
Reduced:	BrNSC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	350.04523
ΔH_f, kcal/mol:	2.91
Dipole, Da:	3.73
IP(EA), eV:	-8.74(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC(C)(CNC1CCC2=C1C=CC=C2Br)SC

DOS

IR

Vibrations