Geometry & MOs

Info

ID:	165430
PubChem CID:	74548499
Reduced:	FN2O5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	399.196706
ΔH_f, kcal/mol:	-137.39
Dipole, Da:	5.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767381
Charge, e:	1

Chem-info

IUPAC name:

1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazin-4-ium

Drug info:

PubChemData

Smile

C1COCCN1CCCN2C(C(=C(C3=CC=C(C=C3)F)[O-])C(=O)C2=O)C4=CC=CO4

DOS

IR

Vibrations