Geometry & MOs

Info

ID:	202667
PubChem CID:	79707619
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	316.110919
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	4.91
IP(EA), eV:	-8.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-6-[[ethyl(piperidin-4-ylmethyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2CCNCC2)S(=O)(=O)N

DOS

IR

Vibrations