Geometry & MOs

Info

ID:	144113
PubChem CID:	53313834
Reduced:	ClO2N5C24H29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	511.258827
ΔH_f, kcal/mol:	64.4
Dipole, Da:	6.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816677
Charge, e:	-1

Chem-info

IUPAC name:

1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;chloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCC3)N4CCC5=CC=CC=C5C4)OC.[Cl-]

DOS

IR

Vibrations