Geometry & MOs

Info

ID:	292103
PubChem CID:	114451945
Reduced:	ClFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	1.2
IP(EA), eV:	-9.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-nitrophenyl)methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

C1CNCC(C1O)CC2=C(C(=CC=C2)F)Cl

DOS

IR

Vibrations