Geometry & MOs

Info

ID:	26453
PubChem CID:	648801
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	472.169288
ΔH_f, kcal/mol:	73.07
Dipole, Da:	5.13
IP(EA), eV:	-8.24(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations