Geometry & MOs

Info

ID:	146568
PubChem CID:	53706083
Reduced:	SN2O4C16H30 (1)
Stoich.:	AB2C4D16E30 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-219.25
Dipole, Da:	2.16
IP(EA), eV:	-8.48(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-4-yloxy)propan-1-ol

Drug info:

PubChemData

Smile

CC1CSCC(C1CC(C)(C)OC(=O)N[C@@H](COC)C(=O)N)C

DOS

IR

Vibrations