Geometry & MOs

Info

ID:	276882
PubChem CID:	103825553
Reduced:	BrFN5H11C14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	345.02252
ΔH_f, kcal/mol:	46.4
Dipole, Da:	9.12
IP(EA), eV:	-8.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-(tetrazol-1-yl)anilino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=C(C=C(C=C2)F)Br)N3C=NN=N3

DOS

IR

Vibrations