Geometry & MOs

Info

ID:	264261
PubChem CID:	103447197
Reduced:	FO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	256.1075
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	2.26
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-ethyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-one

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)C1=C(C=CC(=C1)C)F)O

DOS

IR

Vibrations