Geometry & MOs

Info

ID:	274386
PubChem CID:	103808964
Reduced:	F2N2O2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	286.154209
ΔH_f, kcal/mol:	-184.97
Dipole, Da:	2.38
IP(EA), eV:	-9.11(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC(F)F)NC(=O)[C@H]2CCCCN2

DOS

IR

Vibrations