Geometry & MOs

Info

ID:	294422
PubChem CID:	117460229
Reduced:	ClNSO3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	285.113171
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	5.74
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3,4-dimethoxy-2-(piperidin-2-ylmethyl)phenol

Drug info:

PubChemData

Smile

C1COCC2=C1NC3=C2C=C(C=C3)CS(=O)(=O)Cl

DOS

IR

Vibrations