Geometry & MOs

Info

ID:	31268
PubChem CID:	855409
Reduced:	ON6C15H28 (1)
Stoich.:	AB6C15D28 (1)
Weight, g/mol:	348.182923
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	4.71
IP(EA), eV:	-8.98(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NN=NN1C(C)(C)C)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations