Geometry & MOs

Info

ID:	296070
PubChem CID:	117554619
Reduced:	N2O3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	201.055656
ΔH_f, kcal/mol:	-145.06
Dipole, Da:	1.67
IP(EA), eV:	-8.92(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroanilino)propane-1,3-diol

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(CO)CO

DOS

IR

Vibrations