Geometry & MOs

Info

ID:	159128
PubChem CID:	57260469
Reduced:	N2O2C8H17 (2)
Stoich.:	A2B2C8D17 (2)
Weight, g/mol:	462.090193
ΔH_f, kcal/mol:	-232.37
Dipole, Da:	4.26
IP(EA), eV:	-9.2(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-3-[4-[4-(1,1,1-trifluoro-3-oxobutan-2-yl)oxybenzoyl]phenoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCN(CCNCCN)C(=O)OC(C)(C)C

DOS

IR

Vibrations