Geometry & MOs

Info

ID:	27665
PubChem CID:	822920
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	313.053051
ΔH_f, kcal/mol:	-16.92
Dipole, Da:	3.78
IP(EA), eV:	-9.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-chlorophenyl)tetrazol-5-yl]-5-fluoro-1H-indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)N

DOS

IR

Vibrations