Geometry & MOs

Info

ID:	31263
PubChem CID:	855396
Reduced:	ON6C16H26 (1)
Stoich.:	AB6C16D26 (1)
Weight, g/mol:	292.237545
ΔH_f, kcal/mol:	53.52
Dipole, Da:	5.39
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@H](C2=NN=NN2CC3=CC=CO3)C(C)C

DOS

IR

Vibrations