Geometry & MOs

Info

ID:	250487
PubChem CID:	103097042
Reduced:	ClF2O2N3C12H16 (1)
Stoich.:	AB2C2D3E12F16 (1)
Weight, g/mol:	282.137971
ΔH_f, kcal/mol:	-167.9
Dipole, Da:	1.21
IP(EA), eV:	-10.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-fluoro-4-nitrophenyl)methyl]piperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C(=N1)C(=O)NCCOCC(F)F)Cl

DOS

IR

Vibrations