Geometry & MOs

Info

ID:	296071
PubChem CID:	117554655
Reduced:	ClNO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	3.73
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4,6-dimethylanilino)propane-1,3-diol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(CO)CO)Cl

DOS

IR

Vibrations