Geometry & MOs

Info

ID:	137638
PubChem CID:	52237645
Reduced:	N2F3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	349.120861
ΔH_f, kcal/mol:	-251.68
Dipole, Da:	4.13
IP(EA), eV:	-9.39(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(azocan-1-yl)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations