Geometry & MOs

Info

ID:	293536
PubChem CID:	117392572
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-74.95
Dipole, Da:	2.8
IP(EA), eV:	-8.7(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-methyl-3-(piperidin-2-ylmethyl)benzene-1,2-diol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC2CCCN2)OC)Cl

DOS

IR

Vibrations