Geometry & MOs

Info

ID:	295541
PubChem CID:	117533171
Reduced:	N5C14H19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	321.05891
ΔH_f, kcal/mol:	78.31
Dipole, Da:	3.4
IP(EA), eV:	-9.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=C(N=N2)CC3CCNC3)C

DOS

IR

Vibrations