Geometry & MOs

Info

ID:	292483
PubChem CID:	115001576
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	224.10823
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	3.34
IP(EA), eV:	-8.9(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-1-methylsulfonylbutan-2-ol

Drug info:

PubChemData

Smile

CC(CC(=NO)N)OC1=CC=CC(=C1)CO

DOS

IR

Vibrations