Geometry & MOs

Info

ID:	31258
PubChem CID:	855370
Reduced:	N3C9H14 (2)
Stoich.:	A3B9C14 (2)
Weight, g/mol:	346.228123
ΔH_f, kcal/mol:	88.38
Dipole, Da:	8.39
IP(EA), eV:	-8.93(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-4-[(1R)-2-methyl-1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NN=NN1CCC2=CC=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations