Geometry & MOs

Info

ID:	360678
PubChem CID:	127301323
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	383.243359
ΔH_f, kcal/mol:	52.16
Dipole, Da:	5.4
IP(EA), eV:	-8.62(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(C)N2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations