Geometry & MOs

Info

ID:	31265
PubChem CID:	855402
Reduced:	N3C8H15 (2)
Stoich.:	A3B8C15 (2)
Weight, g/mol:	344.212473
ΔH_f, kcal/mol:	42.05
Dipole, Da:	5.78
IP(EA), eV:	-8.89(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=NN=NN1C2CCCC2)N3CCN(CC3)C

DOS

IR

Vibrations