Geometry & MOs

Info

ID:	249069
PubChem CID:	103086611
Reduced:	BrSN5C12H18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	241.136117
ΔH_f, kcal/mol:	87.8
Dipole, Da:	6.93
IP(EA), eV:	-9.45(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-(thiolan-2-ylmethyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1CC2=C(C=CS2)Br

DOS

IR

Vibrations