Geometry & MOs

Info

ID:	249116
PubChem CID:	103086938
Reduced:	OSN5C11H23 (1)
Stoich.:	ABC5D11E23 (1)
Weight, g/mol:	231.115381
ΔH_f, kcal/mol:	10.53
Dipole, Da:	7.3
IP(EA), eV:	-8.99(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C(C)CS(=O)C

DOS

IR

Vibrations