Geometry & MOs

Info

ID:	360676
PubChem CID:	127301321
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	38.93
Dipole, Da:	4.32
IP(EA), eV:	-9.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylpiperidin-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CN2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations