Geometry & MOs

Info

ID:	249072
PubChem CID:	103086626
Reduced:	SN5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	51.06
Dipole, Da:	7.73
IP(EA), eV:	-8.93(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2CCCCS2)NC

DOS

IR

Vibrations