Geometry & MOs

Info

ID:	349170
PubChem CID:	127274896
Reduced:	O3N7C14H21 (1)
Stoich.:	A3B7C14D21 (1)
Weight, g/mol:	392.253589
ΔH_f, kcal/mol:	-50.2
Dipole, Da:	8.15
IP(EA), eV:	-9.45(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations