Geometry & MOs

Info

ID:	55958
PubChem CID:	17397846
Reduced:	FO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	256.06147
ΔH_f, kcal/mol:	-67.23
Dipole, Da:	2.29
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-nitrophenyl)piperidin-3-ol

Drug info:

PubChemData

Smile

CN1C(=O)C(=NN(C1=O)C)N(C)CC2=CC=CC=C2F

DOS

IR

Vibrations