Geometry & MOs

Info

ID:	175029
PubChem CID:	75847890
Reduced:	ClN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	2.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754168
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methoxy]-3-imidazolidin-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CC(COCC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations