Geometry & MOs

Info

ID:	344537
PubChem CID:	127268121
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-14.3
Dipole, Da:	2.89
IP(EA), eV:	-9.03(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CS2)N3CCN(CC3)C(=O)CC4CCCCC4

DOS

IR

Vibrations