Geometry & MOs

Info

ID:	187798
PubChem CID:	77625795
Reduced:	ClOF3N4H22C24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-126.71
Dipole, Da:	1.08
IP(EA), eV:	-8.93(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy-(3-phenylphenyl)methyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=C(C=CC(=C2)C3=CN=CC=C3)CNC(=O)C4=NC=CC(=C4Cl)C(F)(F)F

DOS

IR

Vibrations