Geometry & MOs

Info

ID:	277006
PubChem CID:	103826219
Reduced:	ON3C7H10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	345.02252
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	1.4
IP(EA), eV:	-8.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC1=CC=CC(=C1)C2=NNN=N2

DOS

IR

Vibrations