Geometry & MOs

Info

ID:	357603
PubChem CID:	127294276
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	367.21543
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	6.1
IP(EA), eV:	-8.64(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations