Geometry & MOs

Info

ID:	248892
PubChem CID:	103085312
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	235.089167
ΔH_f, kcal/mol:	12.05
Dipole, Da:	7.31
IP(EA), eV:	-8.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylsulfanylphenyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CCC2=CC3=C(C=C2)OCCO3)NC

DOS

IR

Vibrations