Geometry & MOs

Info

ID:	130097
PubChem CID:	51074924
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	262.129298
ΔH_f, kcal/mol:	-65.74
Dipole, Da:	4.8
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N

DOS

IR

Vibrations