Geometry & MOs

Info

ID:	280523
PubChem CID:	103849744
Reduced:	SO4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	245.045486
ΔH_f, kcal/mol:	-171.38
Dipole, Da:	4.45
IP(EA), eV:	-9.23(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-nitrophenoxy)butan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCOC1=CC2=C(C=C1)C(=O)CCC2

DOS

IR

Vibrations