Geometry & MOs

Info

ID:	295544
PubChem CID:	117533234
Reduced:	N5C14H19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	321.05891
ΔH_f, kcal/mol:	74.73
Dipole, Da:	6.41
IP(EA), eV:	-9.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-bromophenyl)tetrazol-5-yl]methyl]piperidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN=N2)CC3CCCN3)C

DOS

IR

Vibrations