Geometry & MOs

Info

ID:	162207
PubChem CID:	57393940
Reduced:	ClFO3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	352.187241
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	2.89
IP(EA), eV:	-9.9(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)O)OC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations