Geometry & MOs

Info

ID:	249095
PubChem CID:	103086799
Reduced:	BrON5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	343.01994
ΔH_f, kcal/mol:	52.27
Dipole, Da:	9.27
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1CC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations