Geometry & MOs

Info

ID:	446696
PubChem CID:	135276984
Reduced:	F3N3O4C31H40 (1)
Stoich.:	A3B3C4D31E40 (1)
Weight, g/mol:	264.225329
ΔH_f, kcal/mol:	-301.13
Dipole, Da:	1.32
IP(EA), eV:	-8.04(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1,3-bis(3-methylpentan-3-yl)benzene

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(F)F)C3=C(C=CC(=C3)OCCN(CCCF)C(=O)OC(C)(C)C)OC)NC4=CC=CC=C24

DOS

IR

Vibrations