Geometry & MOs

Info

ID:	264663
PubChem CID:	103481272
Reduced:	BrClN6H10C13 (1)
Stoich.:	ABC6D10E13 (1)
Weight, g/mol:	366.96356
ΔH_f, kcal/mol:	109.18
Dipole, Da:	8.81
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-bromo-3-chlorophenyl)tetrazol-5-yl]-3-fluoroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)N2C(=NN=N2)C3=CC(=CC(=C3)N)N

DOS

IR

Vibrations