Geometry & MOs

Info

ID:	31698
PubChem CID:	857797
Reduced:	ON6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	318.160437
ΔH_f, kcal/mol:	48.71
Dipole, Da:	7.49
IP(EA), eV:	-9.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CC2=NN=NN2CC3=CC=CC=C3

DOS

IR

Vibrations