Geometry & MOs

Info

ID:	295542
PubChem CID:	117533188
Reduced:	BrN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	80.01
Dipole, Da:	4.31
IP(EA), eV:	-9.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)tetrazole

Drug info:

PubChemData

Smile

C1CC(CNC1)CC2=NN(N=N2)C3=CC=CC=C3Br

DOS

IR

Vibrations