Geometry & MOs

Info

ID:	171570
PubChem CID:	75394813
Reduced:	ClO2F3N3C15H15 (1)
Stoich.:	AB2C3D3E15F15 (1)
Weight, g/mol:	325.063346
ΔH_f, kcal/mol:	-201.63
Dipole, Da:	3.54
IP(EA), eV:	-9.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyanophenyl)ethyl 3-(tetrazol-1-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(F)(F)F)C)CC(=O)OCC2=CC(=NC=C2)Cl

DOS

IR

Vibrations