Geometry & MOs

Info

ID:	318237
PubChem CID:	126649972
Reduced:	OF2N7H15C17 (1)
Stoich.:	AB2C7D15E17 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	10.12
Dipole, Da:	3.87
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-methoxycarbonylphenoxy)phenyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N)OC(F)F

DOS

IR

Vibrations