Geometry & MOs

Info

ID:	280030
PubChem CID:	103846473
Reduced:	BrNSC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	334.06808
ΔH_f, kcal/mol:	5.3
Dipole, Da:	1.64
IP(EA), eV:	-8.55(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1NCC3CCSCC3)C=CC=C2Br

DOS

IR

Vibrations