Geometry & MOs

Info

ID:	208077
PubChem CID:	80492398
Reduced:	BrSN4H5C7 (1)
Stoich.:	ABC4D5E7 (1)
Weight, g/mol:	286.15037
ΔH_f, kcal/mol:	85.86
Dipole, Da:	0.95
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=NC(=N1)C2=CSC=N2)N)Br

DOS

IR

Vibrations