Geometry & MOs

Info

ID:	246779
PubChem CID:	103064869
Reduced:	SN5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	213.104817
ΔH_f, kcal/mol:	55.55
Dipole, Da:	6.2
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)NCC1=NN=NN1C2CCSC2

DOS

IR

Vibrations