Geometry & MOs

Info

ID:	344516
PubChem CID:	127268100
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	306.216809
ΔH_f, kcal/mol:	3.93
Dipole, Da:	8.51
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-[(1-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2=CC=CC=C2)CN3CCN(CC3)C(=O)CC4CCCCC4

DOS

IR

Vibrations