Geometry & MOs

Info

ID:	31259
PubChem CID:	855374
Reduced:	FN6C18H27 (1)
Stoich.:	AB6C18D27 (1)
Weight, g/mol:	342.253195
ΔH_f, kcal/mol:	34.36
Dipole, Da:	7.53
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NN=NN1C(C)C)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations