Geometry & MOs

Info

ID:	31256
PubChem CID:	855367
Reduced:	N6C19H30 (1)
Stoich.:	A6B19C30 (1)
Weight, g/mol:	328.237545
ΔH_f, kcal/mol:	77.27
Dipole, Da:	6.05
IP(EA), eV:	-8.32(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NN=NN1CCC(C)C)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations