Geometry & MOs

Info

ID:	245722
PubChem CID:	103023119
Reduced:	ClFO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	289.99761
ΔH_f, kcal/mol:	-140.23
Dipole, Da:	1.88
IP(EA), eV:	-9.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)-4-methoxy-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC1=C(C=C(C=C1)F)Cl)OC

DOS

IR

Vibrations