Geometry & MOs

Info

ID:	31708
PubChem CID:	859862
Reduced:	FSN2O3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	272.113407
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	2.31
IP(EA), eV:	-9.35(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)F

DOS

IR

Vibrations