Geometry & MOs

Info

ID:	12583
PubChem CID:	140850
Reduced:	OC3H4N4 (1)
Stoich.:	AB3C4D4 (1)
Weight, g/mol:	112.038511
ΔH_f, kcal/mol:	37.24
Dipole, Da:	4.34
IP(EA), eV:	-11.69(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1C=NN=N1

DOS

IR

Vibrations