Geometry & MOs

Info

ID:	31280
PubChem CID:	855521
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	8.43
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(4-nitrophenyl)tetrazol-2-yl]ethyl]piperidine

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)SCC(=O)CC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations