Geometry & MOs

Info

ID:	293878
PubChem CID:	117409119
Reduced:	ClNOF2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	261.073198
ΔH_f, kcal/mol:	-136.56
Dipole, Da:	3.56
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3,4-difluoro-2-(piperidin-2-ylmethyl)phenol

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=C(C=C(C(=C2F)Cl)O)F

DOS

IR

Vibrations