Geometry & MOs

Info

ID:	58407
PubChem CID:	24698227
Reduced:	SN3O3C10H13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	233.037419
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	4.74
IP(EA), eV:	-9.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-6-(propylaminomethyl)phenol

Drug info:

PubChemData

Smile

C1CN(CCC1=NO)S(=O)(=O)C2=CN=CC=C2

DOS

IR

Vibrations