Geometry & MOs

Info

ID:	160969
PubChem CID:	57390390
Reduced:	ClF2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	338.171591
ΔH_f, kcal/mol:	-178.64
Dipole, Da:	2.12
IP(EA), eV:	-9.84(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations