Geometry & MOs

Info

ID:	295540
PubChem CID:	117533161
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	55.78
Dipole, Da:	4.83
IP(EA), eV:	-9.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)-5-(pyrrolidin-3-ylmethyl)tetrazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2N=C(N=N2)CC3CCNC3

DOS

IR

Vibrations