Geometry & MOs

Info

ID:	26461
PubChem CID:	649045
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	466.249252
ΔH_f, kcal/mol:	-55.25
Dipole, Da:	2.59
IP(EA), eV:	-9.35(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)CSC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations