Geometry & MOs

Info

ID:	201676
PubChem CID:	79568077
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	204.118401
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	2.51
IP(EA), eV:	-9.49(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-ylsulfanyl-3-propan-2-yloxypropan-2-one

Drug info:

PubChemData

Smile

CC(C)OCC(C1=CC=CO1)O

DOS

IR

Vibrations