Geometry & MOs

Info

ID:	150691
PubChem CID:	53790385
Reduced:	FNSO2H17C22 (1)
Stoich.:	ABCD2E17F22 (1)
Weight, g/mol:	274.189257
ΔH_f, kcal/mol:	-16.29
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141678
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-1-(3-morpholin-4-ylpropoxy)ethanol

Drug info:

PubChemData

Smile

C[N+]1=C2C=CC=C(C2=C(C3=CC=CC=C31)C(=S)OC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations