Geometry & MOs

Info

ID:	292102
PubChem CID:	114451939
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	243.08262
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	1.98
IP(EA), eV:	-9.15(2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-3-fluorophenyl)methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1CCCC(C1)C2CNCCC2O

DOS

IR

Vibrations