Geometry & MOs

Info

ID:	427915
PubChem CID:	135165475
Reduced:	NO2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	249.134049
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	3.65
IP(EA), eV:	-9.2(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-6-(3,3,4-trifluoro-4-methylpyrrolidin-1-yl)hex-4-en-3-one

Drug info:

PubChemData

Smile

CC(C)C1(CN(C1)C(C)C)C(=O)O

DOS

IR

Vibrations