Geometry & MOs

Info

ID:	367948
PubChem CID:	127326131
Reduced:	SO2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	354.253195
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	9.2
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-4-[1-(1-phenyltetrazol-5-yl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations