Geometry & MOs

Info

ID:	312928
PubChem CID:	126610086
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-80.06
Dipole, Da:	5.88
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-propan-2-ylfuran-2-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)NC

DOS

IR

Vibrations