Geometry & MOs

Info

ID:	190416
PubChem CID:	78001897
Reduced:	FCl2N2O6H17C21 (1)
Stoich.:	AB2C2D6E17F21 (1)
Weight, g/mol:	243.107085
ΔH_f, kcal/mol:	-216.31
Dipole, Da:	3.99
IP(EA), eV:	-9.87(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-1-phenylpiperidine-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(C(C(=O)O)O)NC(=O)C2=CC(=O)N(O2)CC3=C(C=C(C=C3)Cl)F)Cl

DOS

IR

Vibrations