Geometry & MOs

Info

ID:	249077
PubChem CID:	103086673
Reduced:	BrN5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	309.05891
ΔH_f, kcal/mol:	64.96
Dipole, Da:	7.15
IP(EA), eV:	-9.23(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromo-3-methylphenyl)tetrazol-5-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1C2=C(C=C(C=C2Br)C)C

DOS

IR

Vibrations