Geometry & MOs

Info

ID:	249010
PubChem CID:	103086205
Reduced:	N5C10H21 (1)
Stoich.:	A5B10C21 (1)
Weight, g/mol:	245.094646
ΔH_f, kcal/mol:	34.56
Dipole, Da:	6.32
IP(EA), eV:	-10.11(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,1-dioxothian-3-yl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCC(CC)C(C)N1C(=NN=N1)C(C)N

DOS

IR

Vibrations