Geometry & MOs

Info

ID:	295536
PubChem CID:	117532785
Reduced:	FON5C9H10 (1)
Stoich.:	ABC5D9E10 (1)
Weight, g/mol:	229.132746
ΔH_f, kcal/mol:	21.07
Dipole, Da:	7.22
IP(EA), eV:	-9.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-pyrrolidin-2-yltetrazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)N2C(=NN=N2)CN

DOS

IR

Vibrations