Geometry & MOs

Info

ID:	188227
PubChem CID:	77685789
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	4.37
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenoxypiperidine-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C#CC2=CC(=CC=C2)Cl)C3=CC=CO3)C(=O)O

DOS

IR

Vibrations