Geometry & MOs

Info

ID:	220299
PubChem CID:	85177272
Reduced:	BrNOC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	244.071114
ΔH_f, kcal/mol:	-37.98
Dipole, Da:	3.89
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-one

Drug info:

PubChemData

Smile

CCCC1=C(C(=CBr)NC1=O)CC

DOS

IR

Vibrations