Geometry & MOs

Info

ID:	50109
PubChem CID:	12012612
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	324.000825
ΔH_f, kcal/mol:	-82.81
Dipole, Da:	0.11
IP(EA), eV:	-9.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3E)-1,4,5,5,5-pentafluoro-1-methoxy-2,3-bis(trifluoromethyl)penta-1,3-diene

Drug info:

PubChemData

Smile

CC1(C(=C(C(N1O)(C)C)C2=CC=C(C=C2)C3=C(C(N(C3(C)C)O)(C)C)C=O)C=O)C

DOS

IR

Vibrations