Geometry & MOs

Info

ID:	359331
PubChem CID:	127298378
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	335.206973
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	4.44
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CN=C(C=C3)OC

DOS

IR

Vibrations