Geometry & MOs

Info

ID:	57340
PubChem CID:	22395689
Reduced:	BrO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	197.070145
ΔH_f, kcal/mol:	-87.28
Dipole, Da:	5.81
IP(EA), eV:	-9.85(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2H-tetrazol-5-yl)quinoline

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1Br)/C=C/C(=O)O

DOS

IR

Vibrations