Geometry & MOs

Info

ID:	225709
PubChem CID:	87225382
Reduced:	BrOC4N4H5 (1)
Stoich.:	ABC4D4E5 (1)
Weight, g/mol:	267.95959
ΔH_f, kcal/mol:	-10.17
Dipole, Da:	4.03
IP(EA), eV:	-9.32(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-bromo-3-(1,2-dihydrotetrazol-5-ylidene)-6-oxocyclohexa-1,4-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CN=C(N1)N(C(=O)N)Br

DOS

IR

Vibrations