Geometry & MOs

Info

ID:	295522
PubChem CID:	117532049
Reduced:	FN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	321.05891
ΔH_f, kcal/mol:	41.79
Dipole, Da:	1.56
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-bromophenyl)methyl]tetrazol-5-yl]piperidine

Drug info:

PubChemData

Smile

C1CNCCC1C2=NN(N=N2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations