Geometry & MOs

Info

ID:	199159
PubChem CID:	79208550
Reduced:	OF3N3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	-133.45
Dipole, Da:	4.72
IP(EA), eV:	-9.82(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopent-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

C1C(C=CC1N)C(=O)NC2=C(C=C(C=C2)C#N)C(F)(F)F

DOS

IR

Vibrations