Geometry & MOs

Info

ID:	404140
PubChem CID:	135065118
Reduced:	F2N2H10C15 (1)
Stoich.:	A2B2C10D15 (1)
Weight, g/mol:	330.180665
ΔH_f, kcal/mol:	3.69
Dipole, Da:	4.12
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-11-phenylmethoxyundecan-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C=CC(=N2)C3=CC=C(C=C3)F)F

DOS

IR

Vibrations