Geometry & MOs

Info

ID:	295543
PubChem CID:	117533222
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	55.89
Dipole, Da:	7.57
IP(EA), eV:	-9.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-5-(pyrrolidin-2-ylmethyl)tetrazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=NN=N2)CC3CCCN3

DOS

IR

Vibrations