Geometry & MOs

Info

ID:	124342
PubChem CID:	50879844
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	239.101839
ΔH_f, kcal/mol:	-27.48
Dipole, Da:	4.0
IP(EA), eV:	-8.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-ethyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C2=C(C=C1C)N=C(S2)N)C

DOS

IR

Vibrations